SCHEMBL14475064

SCHEMBL14475064

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ MAPT P10636 5/20 0.51
▸ CYP1A2 P05177 6/20 0.48
▸ CYP3A4 P08684 6/20 0.48
▸ CYP2D6 P10635 6/20 0.48
▸ CYP2C19 P33261 6/20 0.48
▸ CLK4 Q9HAZ1 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ USP2 O75604 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46

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 0.90 ABCG2 (0.53) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14475136 0.90 ABCG2 (0.52) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL16184297 0.89 ABCG2 (0.52) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14474079 0.89 ABCG2 (0.52) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL27904603 0.89 ABCG2 (0.59) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14474553 0.86 ABCG2 (0.52) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14475186 0.84 ABCG2 (0.51) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14474504 0.82 CYP1A2 (0.53) ABCG2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL14727655 0.82 ABCG2 (0.56) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14474601 0.82 ABCG2 (0.56) ABCG2ABCB1MAPTCYP1A2CYP3A4

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 11 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-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — 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 4803/4885MAPT 519/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885ABCB1 4758/4885MAPT 417/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885ABCB1 4803/4885MAPT 519/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885ABCB1 3803/4885MAPT 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.

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