SCHEMBL5029447

SCHEMBL5029447

Cc1nc(-c2ncco2)sc1-c1ccc(NC(=O)c2ccncc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.44
ORAI1 Q96D31 2/20 0.44
CYP2C19 P33261 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
MCL1 Q07820 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TRPC1 P48995 1/20 0.38
TRPC3 Q13507 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
IL2 P60568 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5033875 0.91 MCL1 (0.40) CYP2C19ADORA2AADORA2BMCL1L3MBTL1
SCHEMBL5032064 0.84 IL2 (0.53) STIM1ORAI1MAPTMEN1KMT2A
SCHEMBL4762627 0.78 STIM1 (0.53) STIM1ORAI1MCL1L3MBTL1MAPT
SCHEMBL14360767 0.78 LMNA (0.49) ORAI1CYP2C19MAPTMEN1KMT2A
SCHEMBL5032088 0.74 MCL1 (0.41) STIM1ORAI1MCL1L3MBTL1MAPT
SCHEMBL5032094 0.73 IL2 (0.44) STIM1ORAI1CYP2C19ADORA3ADORA2A
SCHEMBL5033828 0.72 GPR52 (0.44) CYP2C19MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8227602 0.72 JAK3 (0.35) MAPTMEN1KMT2APOLBIL2
SCHEMBL14388575 0.72 STIM1 (0.40) STIM1ORAI1CYP2C19ADORA3ADORA2A
SCHEMBL18027793 0.71 STIM1 (0.57) STIM1ORAI1L3MBTL1MEN1KMT2A

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 1948/4885CYP2C19 284/4885

“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.