SCHEMBL2332707

SCHEMBL2332707

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
TSHR P16473 1/20 0.30
IKBKE Q14164 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
SCHEMBL2332703 0.84 RAB9A (0.35) USP7RAB9ASMN1; SMN2NPC1POLB
SCHEMBL2330502 0.78 CYP3A4 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1CYP3A4
SCHEMBL2328189 0.76 TSHR (0.36) SMN1; SMN2ALDH1A1FPR3FPR2HDAC6
SCHEMBL2817969 0.75 MAPT (0.38) USP7RAB9ASMN1; SMN2NPC1POLB
SCHEMBL27939524 0.75 RAB9A (0.37) USP7RAB9ASMN1; SMN2NPC1POLB
SCHEMBL2329291 0.74 MAPT (0.50) POLBALDH1A1KDM4EHDAC6IKBKE
SCHEMBL1704174 0.74 MAPT (0.40) RAB9ANPC1ALDH1A1FPR3FPR2
SCHEMBL5860060 0.72 ALDH1A1 (0.41) USP7RAB9ASMN1; SMN2NPC1POLB
SCHEMBL2330819 0.70 GABRP (0.36) ALDH1A1
SCHEMBL18588873 0.70 ALDH1A1 (0.44) USP7RAB9ASMN1; SMN2NPC1POLB

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 USP7 2372/4885RAB9A 4546/4885SMN1; SMN2 4596/4885

“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.