SCHEMBL14727749

SCHEMBL14727749

COc1nc(-c2cccnc2)nc2ccc(-c3ccc(C#N)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.52
ABCG2 Q9UNQ0 6/20 0.52
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
GBA1 P04062 1/20 0.49
CYP17A1 P05093 2/20 0.49
CYP11B1 P15538 2/20 0.49
POLB P06746 1/20 0.46
SQOR Q9Y6N5 1/20 0.45
RXFP1 Q9HBX9 1/20 0.42
ABCB1 P08183 2/20 0.42
CYP19A1 P11511 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA5 P30532 2/20 0.41
CHRNA4 P43681 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL14474992 0.86 ABCG2 (0.57) CYP11B2ABCG2MAPTNPSR1MEN1
SCHEMBL19204172 0.86 MAPT (0.54) ABCG2MAPTNPSR1MEN1ALDH1A1
SCHEMBL14475196 0.85 ABCG2 (0.56) CYP11B2ABCG2MAPTNPSR1MEN1
SCHEMBL17214442 0.85 CYP11B2 (0.56) CYP11B2ABCG2MEN1ALDH1A1KMT2A
SCHEMBL16186259 0.83 MAPT (0.53) CYP11B2ABCG2MAPTNPSR1MEN1
SCHEMBL14475576 0.83 CYP1A2 (0.62) CYP11B2ABCG2MAPTNPSR1MEN1
SCHEMBL14475003 0.83 CYP11B2 (0.56) CYP11B2ABCG2MEN1ALDH1A1GAA
SCHEMBL14475873 0.82 CYP1A2 (0.61) CYP11B2ABCG2MEN1ALDH1A1KMT2A
SCHEMBL14727832 0.82 CYP1A2 (0.61) CYP11B2ABCG2MEN1ALDH1A1KMT2A
SCHEMBL14475886 0.81 MEN1 (0.55) CYP11B2ABCG2MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 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 (4 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP11B2 3580/4885ABCG2 3042/4885MAPT 519/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP11B2 3834/4885ABCG2 2822/4885MAPT 417/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP11B2 3580/4885ABCG2 3042/4885MAPT 519/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP11B2 2204/4885ABCG2 1597/4885MAPT 509/4885

“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.