SCHEMBL5029494

SCHEMBL5029494

Cc1oc(-c2nccs2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.51
ORAI1 Q96D31 2/20 0.51
TRPC1 P48995 1/20 0.40
TRPC3 Q13507 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IL2 P60568 1/20 0.40
CRACR2A Q9BSW2 3/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
NAMPT P43490 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL8228071 0.91 ADORA2A (0.41) STIM1ORAI1ALDH1A1MAPK1KMT2A
SCHEMBL5027387 0.89 IL2 (0.40) STIM1ORAI1ALDH1A1MAPK1KMT2A
SCHEMBL8233603 0.86 IL2 (0.38) STIM1ORAI1ALDH1A1MAPK1KMT2A
SCHEMBL5033790 0.84 IL2 (0.48) STIM1ORAI1ALDH1A1KMT2AKDM4E
SCHEMBL4762957 0.84 STIM1 (0.53) STIM1ORAI1TRPC1TRPC3MAPK1
SCHEMBL6110099 0.80 STIM1 (0.51) STIM1ORAI1TRPC1TRPC3IL2
SCHEMBL8236360 0.77 LMNA (0.48) ORAI1TRPC3ALDH1A1MAPK1KMT2A
SCHEMBL4724893 0.75 ABL1 (0.44) STIM1ORAI1NPC1RAB9AMCL1
SCHEMBL3809188 0.74 STIM1 (0.62) STIM1ORAI1TRPC1TRPC3ALDH1A1
SCHEMBL4764885 0.74 STIM1 (0.52) STIM1ORAI1TRPC1TRPC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (1 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-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 STIM1 1999/4885ORAI1 1948/4885TRPC1 1875/4885

“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.