SCHEMBL2332930

SCHEMBL2332930

CC(=O)c1ncc(Cn2ncc(NC(=O)OCc3ccccc3Cl)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
BTK Q06187 3/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FPR2 P25090 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2328733 0.84 MEN1 (0.43) MEN1KMT2APKMCASP3SENP8
SCHEMBL1167001 0.81 SCD5 (0.45) MEN1KMT2APKMCASP3SENP8
SCHEMBL2327099 0.81 PTGDR2 (0.45) MEN1KMT2APKMCASP3SENP8
SCHEMBL2324912 0.80 BTK (0.41) MEN1KMT2APKMCASP3SENP8
SCHEMBL2328065 0.80 PTGDR2 (0.42) MEN1KMT2APKMCASP3SENP8
SCHEMBL2333848 0.80 MEN1 (0.41) MEN1KMT2APKMCASP3SENP8
SCHEMBL2324116 0.80 MEN1 (0.43) MEN1KMT2APKMCASP3SENP8
SCHEMBL2327979 0.80 THRB (0.43) MEN1KMT2APKMCASP3SENP8
SCHEMBL2324786 0.75 FPR2 (0.41) MEN1KMT2APKMCASP3SENP8
SCHEMBL2327426 0.75 MEN1 (0.39) MEN1KMT2APKMCASP3SENP8

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 11 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
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP 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 MEN1 3704/4885KMT2A 467/4885PKM 3678/4885

“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.