SCHEMBL5115802

SCHEMBL5115802

Cc1cnccc1C(=O)Nc1ccc(-c2sc(-c3ccno3)cc2C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ABCB1 P08183 3/20 0.39
ABCC1 P33527 2/20 0.39
IL2 P60568 1/20 0.37
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
IKBKE Q14164 2/20 0.35
TBK1 Q9UHD2 2/20 0.35
ABL1 P00519 1/20 0.35
WNT3A P56704 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SORT1 Q99523 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
SCHEMBL5030691 0.93 IL2 (0.44) NPC1RAB9AABCB1ABCC1IL2
SCHEMBL5436399 0.89 ABCB1 (0.39) NPC1RAB9AABCB1ABCC1IL2
SCHEMBL5030789 0.87 POLB (0.40) NPC1RAB9ATP53HTTMAPK1
SCHEMBL8235512 0.87 NPC1 (0.39) NPC1RAB9AABCB1ABCC1IL2
SCHEMBL5030734 0.87 ABCB1 (0.39) NPC1RAB9AABCB1ABCC1IL2
SCHEMBL5032084 0.85 IL2 (0.39) NPC1RAB9AABCB1ABCC1IL2
SCHEMBL5033973 0.85 IL2 (0.42) NPC1RAB9AABCB1ABCC1IL2
SCHEMBL5030870 0.83 IL2 (0.49) NPC1RAB9AIL2TP53ALDH1A1
SCHEMBL5032073 0.83 ABCB1 (0.39) NPC1RAB9AABCB1ABCC1IL2
SCHEMBL14360793 0.82 NPC1 (0.34) NPC1RAB9AABCB1ABCC1IL2

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 5 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
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

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 NPC1 636/4885RAB9A 2515/4885ABCB1 436/4885

“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.