SCHEMBL1167409

SCHEMBL1167409

Cc1cccc(COC(=O)Nc2ccn(Cc3ccc(C(C)(F)F)o3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 7/20 0.48
CACNA1H O95180 7/20 0.48
CACNA1I Q9P0X4 7/20 0.48
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 4/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 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
SCHEMBL1167829 0.90 CACNA1G (0.48) CACNA1GCACNA1HCACNA1ITSHRLMNA
SCHEMBL1166472 0.90 LDHB (0.42) CACNA1GCACNA1HCACNA1IMAPTMEN1
SCHEMBL1167011 0.90 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL1166411 0.85 CACNA1G (0.51) CACNA1GCACNA1HCACNA1IMAPTRECQL
SCHEMBL1166752 0.85 SMN1; SMN2 (0.39) CACNA1GCACNA1HCACNA1IMAPTMEN1
SCHEMBL1166149 0.83 HCRTR2 (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1167847 0.82 SMN1; SMN2 (0.46) CACNA1GCACNA1HCACNA1IMAPTTP53
SCHEMBL1166631 0.81 NPSR1 (0.43) CACNA1GCACNA1HCACNA1IMAPTMEN1
SCHEMBL1167191 0.81 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IMAPTRECQL
SCHEMBL1167251 0.81 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IMAPTRECQL

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
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-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP claimed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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 CACNA1G 2166/4885CACNA1H 2377/4885CACNA1I 927/4885

“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.