SCHEMBL1166522

SCHEMBL1166522

Cc1ccc(C=CC(=O)Nc2ccn(Cc3ccc(C(C)(F)F)o3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNA1I Q9P0X4 2/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 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
SCHEMBL1166521 1.00 RAB9A (0.44) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1167524 1.00 RAB9A (0.44) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1167147 0.90 SMN1; SMN2 (0.46) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1166958 0.90 SMN1; SMN2 (0.46) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1166956 0.90 SMN1; SMN2 (0.46) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1167251 0.89 CACNA1G (0.43) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1167193 0.89 CACNA1G (0.43) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1167191 0.89 CACNA1G (0.43) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1166366 0.85 SMN1; SMN2 (0.43) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL1166892 0.85 MEN1 (0.48) KMT2AMEN1ALDH1A1MAPTHPGD

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 6 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

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 RAB9A 1767/4885KMT2A 2299/4885NPC1 3124/4885

“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.