SCHEMBL1168047

SCHEMBL1168047

CC(=O)c1ccc(Cn2cc(NC(=O)/C=C/c3cccc(Cl)c3)cn2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
TAS2R8 Q9NYW2 2/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
GFER P55789 1/20 0.46
MAPT P10636 6/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL1166590 1.00 HCRTR1 (0.51) HCRTR1HCRTR2TAS2R8MEN1KMT2A
SCHEMBL1166588 1.00 HCRTR1 (0.51) HCRTR1HCRTR2TAS2R8MEN1KMT2A
SCHEMBL1166052 0.89 TAS2R8 (0.51) HCRTR1HCRTR2TAS2R8MEN1KMT2A
SCHEMBL1166054 0.89 TAS2R8 (0.51) HCRTR1HCRTR2TAS2R8MEN1KMT2A
SCHEMBL1168081 0.89 TAS2R8 (0.51) HCRTR1HCRTR2TAS2R8MEN1KMT2A
SCHEMBL1167305 0.89 TAS2R8 (0.62) HCRTR1HCRTR2TAS2R8LMNASMN1; SMN2
SCHEMBL1167303 0.89 TAS2R8 (0.62) HCRTR1HCRTR2TAS2R8LMNASMN1; SMN2
SCHEMBL1167190 0.88 HCRTR1 (0.46) HCRTR1HCRTR2TAS2R8MEN1KMT2A
SCHEMBL1167187 0.88 HCRTR1 (0.46) HCRTR1HCRTR2TAS2R8MEN1KMT2A
SCHEMBL1167114 0.88 ALDH1A1 (0.53) HCRTR1HCRTR2TAS2R8MEN1KMT2A

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
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN 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
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN 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
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN 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 HCRTR1 2862/4885HCRTR2 2700/4885TAS2R8 1765/4885

“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.