SCHEMBL2890080

SCHEMBL2890080

Cc1cnccc1C(=O)Nc1ccc(-c2cc(-c3cnco3)sc2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DYRK1A Q13627 6/20 0.38
WNT1 P04628 5/20 0.38
GSK3B P49841 3/20 0.38
IL2 P60568 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
IMPDH2 P12268 2/20 0.35

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
SCHEMBL5030734 0.89 ABCB1 (0.39) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL5032109 0.89 NPC1 (0.46) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL5436399 0.87 ABCB1 (0.39) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL2885792 0.81 IL2 (0.54) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL5033850 0.81 NPC1 (0.45) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL5027253 0.79 IL2 (0.45) ABCB1ABCC1NPC1RAB9AKDM4E
SCHEMBL5027384 0.78 NPC1 (0.47) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL8227365 0.77 ABCB1 (0.38) ABCB1ABCC1NPC1RAB9AKDM4E
SCHEMBL5554526 0.76 IL2 (0.56) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL5027401 0.76 NPC1 (0.45) NPC1RAB9AMAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184994-B1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-09-25 EP claimed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US claimed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 US claimed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US claimed
EP-2184994-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 EP claimed
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
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
EP-2184994-B1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-09-25 EP disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 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
EP-2184994-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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 (5 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 473/4885NPC1 199/4885
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS ABCB1 627/4885ABCC1 855/4885NPC1 1781/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABCC1 473/4885NPC1 199/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 ABCB1 339/4885ABCC1 510/4885NPC1 640/4885
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS ABCB1 627/4885ABCC1 855/4885NPC1 1781/4885

“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.