SCHEMBL2332703

SCHEMBL2332703

CC(=O)c1cnc(Cn2ncc(C(N)=O)n2)s1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
USP7 Q93009 1/20 0.34
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADAMTS7 Q9UKP4 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL2332707 0.84 USP7 (0.35) RAB9ASMN1; SMN2USP7NPC1POLB
SCHEMBL2330496 0.79 ALDH1A1 (0.38) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2328182 0.77 TSHR (0.32)
SCHEMBL2332615 0.76 MAPT (0.40) RAB9ANPC1ALDH1A1ADAMTS7FPR3
SCHEMBL2329287 0.75 MAPT (0.48) POLBALDH1A1
SCHEMBL27939524 0.73 RAB9A (0.37) RAB9ASMN1; SMN2USP7NPC1POLB
SCHEMBL2330813 0.73 CYP4F2 (0.38) ALDH1A1
SCHEMBL2823511 0.72 RAB9A (0.33) RAB9ASMN1; SMN2USP7NPC1ALDH1A1
SCHEMBL2329158 0.71 KLKB1 (0.34) FPR3FPR2
SCHEMBL2328554 0.71 FPR2 (0.50) ALDH1A1FPR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
JP-4656674-B2 2011-03-23 JP claimed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US claimed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP claimed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO claimed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R RAB9A 4546/4885SMN1; SMN2 4596/4885USP7 2372/4885

“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.