SCHEMBL14474079

SCHEMBL14474079

CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(OC)c3)c(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.52
▸ ABCB1 P08183 1/20 0.52
▸ CYP3A4 P08684 7/20 0.50
▸ MAPT P10636 5/20 0.50
▸ CYP17A1 P05093 2/20 0.50
▸ CYP11B1 P15538 2/20 0.50
▸ CYP11B2 P19099 2/20 0.50
▸ CYP1A2 P05177 5/20 0.48
▸ CYP2D6 P10635 5/20 0.48
▸ CYP2C19 P33261 5/20 0.48
▸ CLK4 Q9HAZ1 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP2C9 P11712 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47

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
SCHEMBL16183837 0.89 ABCG2 (0.53) ABCG2ABCB1CYP3A4MAPTCYP1A2
SCHEMBL14475064 0.89 ABCG2 (0.53) ABCG2ABCB1CYP3A4MAPTCYP1A2
SCHEMBL16184297 0.88 ABCG2 (0.52) ABCG2ABCB1CYP3A4MAPTCYP17A1
SCHEMBL27904603 0.88 ABCG2 (0.59) ABCG2ABCB1CYP3A4MAPTCYP1A2
SCHEMBL2154983 0.80 ABCG2 (0.65) ABCG2ABCB1CYP3A4MAPTCYP1A2
SCHEMBL14727655 0.79 ABCG2 (0.56) ABCG2ABCB1CYP3A4MAPTCYP11B1
SCHEMBL14474037 0.79 ABCG2 (0.56) ABCG2ABCB1CYP3A4MAPTCYP1A2
SCHEMBL14474601 0.79 ABCG2 (0.56) ABCG2ABCB1CYP3A4MAPTCYP11B1
SCHEMBL16183838 0.79 ABCG2 (0.49) ABCG2ABCB1CYP3A4MAPTCYP1A2
SCHEMBL14475136 0.78 ABCG2 (0.52) ABCG2ABCB1CYP3A4MAPTCYP17A1

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 10 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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — 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 (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 ABCG2 3042/4885ABCB1 4803/4885CYP3A4 4815/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885ABCB1 4758/4885CYP3A4 4805/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885ABCB1 4803/4885CYP3A4 4815/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885ABCB1 3803/4885CYP3A4 4456/4885

“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.

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