SCHEMBL5029467

SCHEMBL5029467

Cc1cnccc1C(=O)Nc1ccc(-c2sc(-c3nnco3)cc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.38
ABCC1 P33527 2/20 0.38
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 2/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
IL2 P60568 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLQ O75417 1/20 0.33
CREBBP Q92793 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5027368 0.92 IL2 (0.43) ABCB1ABCC1NPC1RAB9APPARG
SCHEMBL5032073 0.87 ABCB1 (0.39) ABCB1ABCC1NPC1RAB9AHTT
SCHEMBL5030734 0.85 ABCB1 (0.39) ABCB1ABCC1NPC1RAB9AHTT
SCHEMBL8233126 0.84 IL2 (0.38) ABCB1ABCC1NPC1RAB9APPARG
SCHEMBL5436570 0.84 IL2 (0.41) ABCB1NPC1RAB9APPARGTP53
SCHEMBL8236369 0.82 LMNA (0.39) NPC1RAB9AHTTMAPK1MAPT
SCHEMBL5029396 0.82 IL2 (0.48) NPC1RAB9ATP53IL2KDM4E
SCHEMBL5115802 0.81 NPC1 (0.41) ABCB1ABCC1NPC1RAB9AHTT
SCHEMBL5030780 0.80 IL2 (0.45) NPC1RAB9ATP53IL2KDM4E
SCHEMBL5435249 0.79 RAB9A (0.41) ABCB1ABCC1NPC1RAB9AHTT

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 ABCB1 436/4885ABCC1 343/4885NPC1 636/4885

“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.