SCHEMBL2329291

SCHEMBL2329291

CC(=O)c1cc(Cn2ncc(N)n2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.34
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
CSNK1A1 P48729 1/20 0.31
GSK3A P49840 1/20 0.31
LIMK1 P53667 1/20 0.31
IKBKE Q14164 1/20 0.31
MAPK14 Q16539 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31

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
SCHEMBL2329287 0.84 MAPT (0.48) MAPTNPSR1POLBHPGDMEN1
SCHEMBL2330819 0.77 GABRP (0.36) ALDH1A1KLKB1KLK1
SCHEMBL2822244 0.76 MAPT (0.50) MAPTNPSR1POLBHPGDMEN1
SCHEMBL2328428 0.76 CA2 (0.37) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2330502 0.74 CYP3A4 (0.40) MAPTNPSR1HPGDMEN1KMT2A
SCHEMBL2332707 0.74 USP7 (0.35) POLBALDH1A1KDM4EIKBKEHDAC6
SCHEMBL1704174 0.73 MAPT (0.40) MAPTMEN1KMT2AALDH1A1CHEK1
SCHEMBL2326985 0.73 ADAMTS7 (0.34) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2327558 0.73 FYN (0.43) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL2330685 0.73

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 7 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
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US 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 MAPT 1392/4885NPSR1 129/4885POLB 2532/4885

“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.