SCHEMBL2154805

SCHEMBL2154805

COc1ccc2nc(-c3cccnc3)nc(Cl)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.58
CYP11B2 P19099 4/20 0.58
CYP11B1 P15538 3/20 0.58
CYP3A4 P08684 3/20 0.58
ABCG2 Q9UNQ0 5/20 0.56
ABCB1 P08183 1/20 0.55
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
CYP19A1 P11511 3/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
TSHR P16473 2/20 0.53

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
SCHEMBL2155017 0.90 ABCG2 (0.56) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL29589455 0.90 CYP11B2 (0.55) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL16183307 0.90 CYP11B2 (0.55) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL14726188 0.87 ABCG2 (0.49) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL2154780 0.86 CYP11B1 (0.56) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL26857407 0.86 MEN1 (0.55) CYP3A4ABCG2MAPTMEN1KMT2A
SCHEMBL20273439 0.86 ABCG2 (0.57) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL2154551 0.85 ABCG2 (0.56) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL14474404 0.85 ABCG2 (0.62) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2
SCHEMBL2154644 0.85 ABCG2 (0.56) CYP17A1CYP11B2CYP11B1CYP3A4ABCG2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
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
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
EP-2521549-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2016-08-17 EP 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
EP-2726485-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2014-05-07 EP 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
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed
EP-2521549-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2012-11-14 EP disclosed
WO-2011082337-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORP. (US) 2011-07-07 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 (3 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-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP17A1 1790/4885CYP11B2 3834/4885CYP11B1 3667/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP17A1 1847/4885CYP11B2 3580/4885CYP11B1 3532/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP17A1 1430/4885CYP11B2 2204/4885CYP11B1 2235/4885

“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.