SCHEMBL5032094

SCHEMBL5032094

Cc1cc(-c2ncco2)sc1-c1ccc(NC(=O)c2ccncc2F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 3/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ABCB1 P08183 2/20 0.39
ABCC1 P33527 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ABL1 P00519 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CYP2C19 P33261 1/20 0.36
WNT3A P56704 2/20 0.36

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
SCHEMBL5032073 0.92 ABCB1 (0.39) IL2NPC1RAB9AABCB1ABCC1
SCHEMBL5033873 0.89 RAB9A (0.43) IL2NPC1RAB9AABCB1ABCC1
SCHEMBL5033884 0.89 IL2 (0.49) IL2NPC1RAB9AALDH1A1STIM1
SCHEMBL5027368 0.88 IL2 (0.43) IL2NPC1RAB9AABCB1ABCC1
SCHEMBL8228068 0.88 IL2 (0.45) IL2NPC1RAB9AABCB1SMN1; SMN2
SCHEMBL5033850 0.86 NPC1 (0.45) IL2NPC1RAB9AABCB1ABCC1
SCHEMBL5032016 0.85 IL2 (0.57) IL2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5030691 0.85 IL2 (0.44) IL2NPC1RAB9AABCB1ABCC1
SCHEMBL5029747 0.84 IL2 (0.54) IL2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5435249 0.84 RAB9A (0.41) IL2NPC1RAB9AABCB1ABCC1

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 8 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
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 IL2 55/4885NPC1 636/4885RAB9A 2515/4885

“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.