SCHEMBL14475857

SCHEMBL14475857

CC(=O)Nc1nc(-c2cccnc2)nc2ccc(-c3ccc(C(C)=O)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.53
▸ PIK3CA P42336 1/20 0.53
▸ PIK3CG P48736 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CYP1A2 P05177 5/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ CLK4 Q9HAZ1 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPT P10636 3/20 0.48
▸ GMNN O75496 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ PDE5A O76074 4/20 0.47
▸ ABCG2 Q9UNQ0 3/20 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
SCHEMBL14474558 0.90 CYP1A2 (0.61) ADORA3RAB9ACYP1A2CYP3A4CLK4
SCHEMBL2155007 0.85 CYP1A2 (0.59) ADORA3PIK3CAPIK3CGCYP1A2CYP3A4
SCHEMBL14475063 0.83 RAB9A (0.55) RAB9ACYP1A2CYP3A4CLK4TSHR
SCHEMBL14474608 0.83 CYP1A2 (0.60) ADORA3RAB9ACYP1A2CYP3A4CLK4
SCHEMBL16183488 0.82 CYP1A2 (0.62) ADORA3CYP1A2CYP3A4CLK4TSHR
SCHEMBL14475879 0.82 WNT1 (0.48) ADORA3PIK3CAPIK3CGCYP1A2CYP3A4
SCHEMBL14727566 0.81 CYP1A2 (0.61) ADORA3RAB9ACYP1A2CYP3A4CLK4
SCHEMBL14475135 0.81 CYP3A4 (0.61) RAB9ACYP1A2CYP3A4CLK4TSHR
SCHEMBL14475897 0.80 CYP1A2 (0.60) ADORA3CYP1A2CYP3A4CLK4TSHR
SCHEMBL14475832 0.80 RAB9A (0.52) RAB9ACYP1A2CYP3A4CLK4TSHR

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 ADORA3 2920/4885PIK3CA 1211/4885PIK3CG 924/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ADORA3 3469/4885PIK3CA 1402/4885PIK3CG 1030/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ADORA3 2920/4885PIK3CA 1211/4885PIK3CG 924/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ADORA3 2020/4885PIK3CA 2052/4885PIK3CG 1807/4885

“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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