SCHEMBL1166802

SCHEMBL1166802

CC1(c2cccc(Cn3cc(N)cn3)n2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.37
KLKB1 P03952 4/20 0.37
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CXCR4 P61073 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
TEC P42680 1/20 0.30
TXK P42681 1/20 0.30
BMX P51813 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL1166999 0.81 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1166996 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1L3MBTL1CXCR4
SCHEMBL2325210 0.78 CXCR4 (0.32) CXCR4
SCHEMBL1167546 0.76 MAPT (0.35) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL1166867 0.76 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL1167376 0.75 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL1166662 0.75 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL17094991 0.74 KLKB1 (0.56) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL1166478 0.73 MAPT (0.40) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL1166610 0.72 LMNA (0.39) MEN1KMT2AMAPTALDH1A1PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2299/4885MAPT 2198/4885

“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.