SCHEMBL1166906

SCHEMBL1166906

CC(=O)c1nc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SCD5 Q86SK9 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
BTK Q06187 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27847259 0.92 ALDH1A1 (0.44) MEN1KMT2APKMCASP3SENP8
SCHEMBL1166944 0.90 JAK2 (0.44) MEN1KMT2APKMCASP3SENP8
SCHEMBL1166398 0.86 SCD5 (0.43) MEN1KMT2APKMCASP3SENP8
SCHEMBL1166846 0.86 MEN1 (0.42) MEN1KMT2APKMCASP3SENP8
SCHEMBL1167142 0.85 SCD5 (0.43) MEN1KMT2APKMCASP3SENP8
SCHEMBL1167456 0.85 SCD5 (0.44) MEN1KMT2APKMCASP3SENP8
SCHEMBL1166710 0.84 MAPT (0.44) MEN1KMT2APKMCASP3SENP8
SCHEMBL1167001 0.84 SCD5 (0.45) MEN1KMT2APKMCASP3SENP8
SCHEMBL1165817 0.83 SCD5 (0.44) MEN1KMT2APKMCASP3SENP8
SCHEMBL1166989 0.83 MEN1 (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 MEN1 2602/4885KMT2A 2299/4885PKM 1045/4885

“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.