SCHEMBL128068

SCHEMBL128068

Oc1ncc2nccc-2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
NPY5R Q15761 1/20 0.31
MAPKAPK2 P49137 1/20 0.31

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
SCHEMBL5260623 0.75 PDE10A (0.33)
SCHEMBL28393579 0.74 MAPT (0.36) NPY5R
SCHEMBL3644139 0.74 NPY5R (0.31) NPY5R
SCHEMBL423879 0.74 MASP2 (0.48) CDK5CDK5R1NPY5R
SCHEMBL127415 0.74 MAPT (0.36) NPY5R
SCHEMBL129499 0.74 NPY5R (0.31) NPY5R
SCHEMBL3858640 0.74 CYP2A6 (0.47) NPY5R
SCHEMBL29882567 0.74
SCHEMBL15820238 0.72 KDM4C (0.38)
SCHEMBL7245878 0.71 PDE10A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950806-A Preparation method of pyrimidine cyclic hydroxy chloride by catalysis of tetraethylammonium chloride 安庆博曼生物技术有限公司 2020-04-03 CN claimed
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
CN-111454261-A Synthesis method of 4-chloro-pyrrolopyrimidine compound 南京普锐达医药科技有限公司 2020-07-28 CN disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
CN-110950806-A Preparation method of pyrimidine cyclic hydroxy chloride by catalysis of tetraethylammonium chloride 安庆博曼生物技术有限公司 2020-04-03 CN 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-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 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
CN-101820881-B Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treament of inflammation CHEMOCENTRYX 2013-05-01 CN disclosed
EP-2175859-B1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESULFONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION CHEMOCENTRYX INC (US) 2012-03-07 EP 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
EP-2175859-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESULFONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION ChemoCentryx Inc (US) 2010-04-21 EP 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
WO-2009009740-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2009-01-15 WO disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO 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 (10 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 CDK5 878/4885CDK5R1 506/4885NPY5R 2330/4885
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 CDK5 657/4885CDK5R1 366/4885NPY5R 1610/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CDK5 878/4885CDK5R1 506/4885NPY5R 2330/4885
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CDK5 657/4885CDK5R1 366/4885NPY5R 1610/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CDK5 878/4885CDK5R1 506/4885NPY5R 2330/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CDK5 878/4885CDK5R1 506/4885NPY5R 2330/4885
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 CDK5 657/4885CDK5R1 366/4885NPY5R 1610/4885
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CDK5 657/4885CDK5R1 366/4885NPY5R 1610/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CDK5 878/4885CDK5R1 506/4885NPY5R 2330/4885
US-20110319433-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CDK5 657/4885CDK5R1 366/4885NPY5R 1610/4885

“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.