SCHEMBL1167249

SCHEMBL1167249

CCc1ccccc1COC(=O)Nc1cnn(CCCCC(C)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SCD5 Q86SK9 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.36
SCD O00767 1/20 0.36
AR P10275 1/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35

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
SCHEMBL1167010 0.91 ALDH1A1 (0.46) KMT2ASCD5ALDH1A1MAPTSMN1; SMN2
SCHEMBL1166627 0.91 KMT2A (0.44) KMT2ASCD5ALDH1A1MAPTSMN1; SMN2
SCHEMBL1167266 0.90 MEN1 (0.43) KMT2ASCD5ALDH1A1MAPTSMN1; SMN2
SCHEMBL1166114 0.88 POLB (0.46) KMT2ASCD5ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1167075 0.85 ALDH1A1 (0.38) SCD5ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL1166403 0.85 FPR2 (0.44) KMT2AALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL1166160 0.83 MEN1 (0.45) KMT2ASCD5ALDH1A1MAPTSMN1; SMN2
SCHEMBL1167226 0.82 CYP1A2 (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL1166404 0.81 JAK2 (0.43) KMT2ASCD5ALDH1A1MAPTHDAC3
SCHEMBL1167495 0.81 SCD5 (0.44) SCD5ALDH1A1MAPTSMN1; SMN2JAK3

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 KMT2A 2299/4885SCD5 4238/4885ALDH1A1 96/4885

“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.