SCHEMBL2091845

SCHEMBL2091845

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TACR3 P29371 1/20 0.41
TLR8 Q9NR97 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 2/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CRACR2A Q9BSW2 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
PTGES O14684 1/20 0.40
RUVBL1 Q9Y265 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2095265 0.93 NPC1 (0.44) NPC1RAB9ATACR3TLR8POLB
SCHEMBL2091715 0.92 TLR8 (0.41) TLR8KDRCRACR2AALDH1A1
SCHEMBL2095287 0.92 TACR3 (0.40) NPC1RAB9ATACR3KDRTP53
SCHEMBL2093312 0.91 TLR8 (0.40) NPC1RAB9ATLR8KDRTP53
SCHEMBL13324404 0.90 RAB9A (0.51) RAB9ATLR8KDM4EKDRPLG
SCHEMBL2091601 0.89 TACR3 (0.39) NPC1RAB9ATACR3KDRTP53
SCHEMBL2091639 0.89 ALDH1A1 (0.42) NPC1RAB9AKDM4ECRACR2APLAU
SCHEMBL2092551 0.88 MAPT (0.43) NPC1RAB9ATACR3KDM4EKDR
SCHEMBL2092855 0.88 KDR (0.44) NPC1RAB9AKDRCRACR2A
SCHEMBL15000677 0.88 EGFR (0.43) NPC1RAB9APOLBTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US claimed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US claimed
US-7709518-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-05-04 US claimed
EP-1809294-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-08-06 EP claimed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP claimed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 WO claimed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO disclosed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP disclosed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 NPC1 1500/4885RAB9A 642/4885TACR3 2583/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 NPC1 142/4885RAB9A 1725/4885TACR3 2077/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 NPC1 142/4885RAB9A 1725/4885TACR3 2077/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 NPC1 142/4885RAB9A 1725/4885TACR3 2077/4885

“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.