SCHEMBL10187125

SCHEMBL10187125

CCOc1ccc(C)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
NQO1 P15559 1/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 4/20 0.46
RXFP1 Q9HBX9 3/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CASP1 P29466 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL7356604 0.86 PTGS1 (0.45) GLAALDH1A1MAPTKMT2ATSHR
SCHEMBL16255446 0.85 MRGPRX4 (0.51) GLANQO1ALDH1A1MAPTMEN1
SCHEMBL11843714 0.85 MAOB (0.59) GLANQO1ALDH1A1MAPTMEN1
SCHEMBL16959826 0.81 NQO1 (0.46) GLANQO1ALDH1A1MAPTMEN1
SCHEMBL8251612 0.81 MAOB (0.41) ALDH1A1MAPTTSHRMAOBHPGD
SCHEMBL14999401 0.80 CYP11B1 (0.54) GLANQO1ALDH1A1MAPTMEN1
SCHEMBL14742525 0.80 MRGPRX4 (0.50) GLANQO1ALDH1A1MAPTMEN1
SCHEMBL11796509 0.80 MEN1 (0.54) GLANQO1ALDH1A1MAPTMEN1
SCHEMBL9932134 0.80 GLA (0.49) GLANQO1ALDH1A1MAPTMEN1
SCHEMBL1390861 0.80 SLC6A2 (0.48) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
CN-105120871-A Use of pyrazolopyrimidine derivatives for the treatment of PI 3K-related disorders INCYTE CORP 2015-12-02 CN disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 GLA 3059/4885NQO1 384/4885ALDH1A1 1715/4885

“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.