SCHEMBL7933347

SCHEMBL7933347

CC(C)c1sc(-c2cccnc2)nc1-c1ccc(NC(=O)c2ccc(F)cc2F)nc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.51
▸ ABCC1 P33527 3/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ DYRK1A Q13627 1/20 0.46
▸ GPR55 Q9Y2T6 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ CSNK1D P48730 3/20 0.42
▸ CSNK1E P49674 3/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ MAP3K5 Q99683 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DEGS1 O15121 1/20 0.39

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
SCHEMBL7917088 0.88 ABCB1 (0.45) ABCB1ABCC1CYP1A2CYP3A4CYP2C19
SCHEMBL2849853 0.84 GPR55 (0.44) ABCB1DYRK1AGPR55CSNK1DCSNK1E
SCHEMBL13321615 0.84 ABCB1 (0.44) ABCB1CSNK1DCSNK1EGRM5GAA
SCHEMBL7918498 0.84 NTRK1 (0.45) ABCB1GRM5GAA
SCHEMBL7918495 0.83 ABCB1 (0.43) ABCB1GRM5GAAL3MBTL1
SCHEMBL2316711 0.77 MEN1 (0.52) ABCB1ABCC1CYP1A2CYP3A4CYP2C19
SCHEMBL2847557 0.76 ABCB1 (0.58) ABCB1ABCC1DYRK1AMAP3K5DEGS1
SCHEMBL2314051 0.74 ABCB1 (0.46) ABCB1ABCC1DYRK1AGPR55LMNA
SCHEMBL7921586 0.73 KDM4E (0.46) ABCB1ABCC1CYP1A2CYP3A4CYP2C19
SCHEMBL23405953 0.70 DEGS1 (0.73) ABCB1ABCC1DYRK1AGPR55LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 — — US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 — — US disclosed
US-8314130-B2 Compounds inclunding substituted pyridines for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 — — US disclosed
US-8314130-B2 Compounds inclunding substituted pyridines for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 — — US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — US disclosed
US-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 — — US disclosed
US-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 — — US disclosed
WO-2010039237-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 — — 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 (4 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-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABCC1 473/4885CYP1A2 910/4885
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABCC1 473/4885CYP1A2 910/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABCC1 473/4885CYP1A2 910/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 ABCB1 339/4885ABCC1 510/4885CYP1A2 239/4885

“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.

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