Sugi Predict

Sugi Predict / Compounds / SCHEMBL1187899

SCHEMBL1187899

SCHEMBL1187899

O=Cc1cncc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ IGF1R P08069 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ PRKCQ Q04759 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrogen Sulfide SCHEMBL27706806 0.98 CYP2A6 (0.39) CYP2A6IMPDH2BRD4CCNT1CDK9
SCHEMBL30431346 0.81 BRD4 (0.39) BRD4PIK3C3PRMT5WDR77IGF1R
SCHEMBL97761 0.72 CYP2A6 (0.57) CYP2A6IMPDH2PIK3CDKMT2A
SCHEMBL2268299 0.72 CCNT1 (0.62) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL29664462 0.72 CCNT1 (0.62) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL28168668 0.71 CYP2A6 (0.55) CYP2A6IMPDH2PIK3CDKMT2A
SCHEMBL29956871 0.71 NOS1 (0.33) CCNT1CDK9HASPIN
Hydrochloric Acid SCHEMBL3831446 0.70 CCNT1 (0.60) CYP2A6IMPDH2CCNT1CDK9HASPIN
SCHEMBL23148015 0.69 NUDT1 (0.43) BRD4PIK3C3PRMT5WDR77IGF1R
SCHEMBL2628872 0.69 BRD4 (0.41) BRD4PIK3C3PRMT5WDR77IGF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 — — US disclosed
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2021-01-26 — — US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 — — US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 — — US disclosed
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2019-06-06 — — US disclosed
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2019-02-19 — — US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 — — US disclosed
US-20170334920-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2017-11-23 — — US disclosed
US-9745312-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2017-08-29 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20140100237-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2014-04-10 — — US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 — — US disclosed
US-8546408-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2013-10-01 — — US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 — — US disclosed
CN-101820881-B Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treament of inflammation CHEMOCENTRYX 2013-05-01 — — CN disclosed
US-20110319433-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2011-12-29 — — US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 — — US disclosed
US-7884110-B2 4-Chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide sodium salt; for chemokine-mediated conditions or diseases including certain inflammatory and immunoregulatory disorders; restenosis, multiple sclerosis, arthritis CHEMOCENTRYX, INC. (US) 2011-02-08 — — US disclosed
CN-101820881-A Fused heteroaryl pyridyl and phenyl benzenesuflonamides as ccr2 modulators for the treament of inflammation CHEMOCENTRYX INC 2010-09-01 — — CN disclosed
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2009-09-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2A6 938/4885IMPDH2 4518/4885BRD4 163/4885
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 CYP2A6 668/4885IMPDH2 4164/4885BRD4 101/4885
US-20170334920-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP2A6 668/4885IMPDH2 4164/4885BRD4 101/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2A6 938/4885IMPDH2 4518/4885BRD4 163/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CYP2A6 938/4885IMPDH2 4518/4885BRD4 163/4885
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP2A6 668/4885IMPDH2 4164/4885BRD4 101/4885
US-20140100237-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP2A6 668/4885IMPDH2 4164/4885BRD4 101/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2A6 938/4885IMPDH2 4518/4885BRD4 163/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2A6 938/4885IMPDH2 4518/4885BRD4 163/4885
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 CYP2A6 668/4885IMPDH2 4164/4885BRD4 101/4885
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP2A6 668/4885IMPDH2 4164/4885BRD4 101/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CYP2A6 938/4885IMPDH2 4518/4885BRD4 163/4885
US-20110319433-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP2A6 668/4885IMPDH2 4164/4885BRD4 101/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.