SCHEMBL5032088

SCHEMBL5032088

Cc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ncco3)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
IKBKE Q14164 3/20 0.40
TBK1 Q9UHD2 3/20 0.40
IL2 P60568 1/20 0.39
TYK2 P29597 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
NAMPT P43490 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 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 0.89 ABCB1 (0.39) MCL1IKBKETBK1IL2NPC1
SCHEMBL5029720 0.87 MCL1 (0.40) MCL1IKBKETBK1IL2TYK2
SCHEMBL14360826 0.84 TYK2 (0.46) MCL1IKBKETBK1TYK2NPC1
SCHEMBL5033875 0.83 MCL1 (0.40) MCL1IKBKETBK1IL2TYK2
SCHEMBL5027384 0.83 NPC1 (0.47) IKBKETBK1TYK2NPC1RAB9A
SCHEMBL2891693 0.83 TYK2 (0.41) IKBKETBK1TYK2NPC1RAB9A
SCHEMBL5029502 0.83 CYP11B2 (0.46) TYK2NPC1RAB9ANAMPTHTT
SCHEMBL5030781 0.82 CYP3A4 (0.44) IKBKETBK1TYK2NPC1RAB9A
SCHEMBL5030903 0.82 ADORA2A (0.43) MCL1IKBKETBK1TYK2NPC1
SCHEMBL5030789 0.81 POLB (0.40) IKBKETBK1TYK2NPC1RAB9A

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 MCL1 3039/4885IKBKE 673/4885TBK1 1314/4885

“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.