SCHEMBL4769174

SCHEMBL4769174

Cc1csc(-c2ccc(C)c(-c3ccc(NC(=O)c4ccncc4C)cc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
STAT1 P42224 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IRAK4 Q9NWZ3 3/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
EIF4E P06730 1/20 0.41
MAPK1 P28482 1/20 0.40
TYK2 P29597 1/20 0.40
KIF18A Q8NI77 1/20 0.40

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
SCHEMBL4724893 0.85 ABL1 (0.44) NPC1RAB9AMAPTSTIM1ORAI1
SCHEMBL4769576 0.84 STIM1 (0.41) NPC1RAB9AKDM4ESTAT1LMNA
SCHEMBL1825456 0.82 KMT2A (0.48) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL4761833 0.81 KMT2A (0.50) NPC1RAB9AMAPTLMNASTIM1
SCHEMBL4767825 0.81 ABL1 (0.53) RAB9ASTIM1ORAI1CYP2C9TYK2
SCHEMBL4764385 0.79 IL2 (0.58) NPC1RAB9AMAPTSTIM1ORAI1
SCHEMBL16471119 0.79 RAB9A (0.39) NPC1RAB9AKDM4ESTAT1MAPT
SCHEMBL4762642 0.78 STIM1 (0.45) NPC1RAB9ALMNASTIM1ORAI1
SCHEMBL4762823 0.78 NPC1 (0.52) NPC1RAB9AKDM4ELMNASTIM1
SCHEMBL8263253 0.78 STIM1 (0.41) LMNASTIM1ORAI1TYK2KIF18A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP claimed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP claimed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP claimed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO claimed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 US claimed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-8592486-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-11-26 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP disclosed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 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 (3 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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 NPC1 593/4885RAB9A 965/4885KDM4E 2202/4885
US-20060173006-A1 Compounds for inflammation and immune-related uses CXCL8, CCR8, CXCR2 NPC1 593/4885RAB9A 965/4885KDM4E 2202/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 NPC1 593/4885RAB9A 965/4885KDM4E 2202/4885

“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.