SCHEMBL125104

SCHEMBL125104

Cn1ccc2c(I)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SYK P43405 1/20 0.35
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
CDK1 P06493 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP3A4 P08684 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
RET P07949 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL256213 0.78 NOTUM (0.47) NOTUMABL1BCRSYKCHRNA7
SCHEMBL13261105 0.77 ADORA2A (0.39) CDK1ADORA2AADORA1KDRPI4KA
SCHEMBL23104228 0.76 NOTUM (0.46) NOTUMABL1BCRSYKCHRNA7
SCHEMBL130757 0.76 NOTUM (0.46) NOTUMABL1BCRSYKCHRNA7
SCHEMBL13695897 0.76
SCHEMBL10051003 0.76 PI4KA (0.52) NOTUMABL1BCRADORA2AADORA1
SCHEMBL22509747 0.73 ALDH1A1 (0.46) NOTUMABL1BCRRAF1BRAF
SCHEMBL15079235 0.73 NOTUM (0.44) NOTUMABL1BCRSYKCHRNA7
SCHEMBL23132775 0.73 NOTUM (0.48) NOTUMABL1BCRSYKCHRNA7
SCHEMBL18572173 0.73 ABL1 (0.54) NOTUMABL1BCRSYKCHRNA7

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 58 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-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-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-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-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-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
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
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
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2009-09-17 US 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-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
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 (7 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 NOTUM 3973/4885ABL1 2573/4885BCR 444/4885
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 NOTUM 4369/4885ABL1 2225/4885BCR 363/4885
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 NOTUM 4369/4885ABL1 2225/4885BCR 363/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 NOTUM 3973/4885ABL1 2573/4885BCR 444/4885
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 NOTUM 4369/4885ABL1 2225/4885BCR 363/4885
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 NOTUM 4369/4885ABL1 2225/4885BCR 363/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 NOTUM 3973/4885ABL1 2573/4885BCR 444/4885

“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.