SCHEMBL5030734

SCHEMBL5030734

Cc1cnccc1C(=O)Nc1ccc(-c2sc(-c3cnco3)cc2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
DYRK1A Q13627 6/20 0.36
WNT1 P04628 5/20 0.36
GSK3B P49841 5/20 0.36
IKBKE Q14164 2/20 0.35
TBK1 Q9UHD2 2/20 0.35
IL2 P60568 1/20 0.35
IMPDH2 P12268 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL5033850 0.92 NPC1 (0.45) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL2890080 0.89 ABCB1 (0.39) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL5027384 0.87 NPC1 (0.47) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL5115802 0.87 NPC1 (0.41) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL5029467 0.85 ABCB1 (0.38) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL5032073 0.85 ABCB1 (0.39) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL5033765 0.83 IL2 (0.45) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL5029603 0.82 IL2 (0.53) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL8233715 0.81 LMNA (0.39) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL5027346 0.81 IL2 (0.49) NPC1RAB9AMAPK1KDM4EALDH1A1

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.