SCHEMBL14475085

SCHEMBL14475085

Nc1nc(-c2cccnc2)nc2ccc(-c3cccc(F)c3F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PDE5A O76074 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ USP1 O94782 1/20 0.41
▸ WDR48 Q8TAF3 1/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HSD17B10 Q99714 2/20 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
SCHEMBL14475206 0.91 MAP4K4 (0.53) ABCG2ADORA2AADORA1MAP4K4PDE5A
SCHEMBL16183742 0.86 ABCG2 (0.43) WNT1DYRK1AABCG2PDE5AKDM4E
SCHEMBL16183755 0.86 CYP3A4 (0.45) WNT1DYRK1AABCG2PDE5AKDM4E
SCHEMBL14475173 0.84 PDE5A (0.49) ABCG2ADORA2AADORA1PDE5AKDM4E
SCHEMBL14475170 0.84 CYP1A2 (0.59) ABCG2PDE5AKDM4EHPGDALDH1A1
SCHEMBL14727590 0.84 CYP1A2 (0.59) ABCG2ALDH1A1GLACYP3A4CYP1A2
SCHEMBL14474998 0.83 ABCG2 (0.55) ABCG2ADORA2AADORA1MAP4K4PDE5A
SCHEMBL14475050 0.82 CYP1A2 (0.54) ABCG2ADORA2AADORA1MAP4K4PDE5A
SCHEMBL14727529 0.81 SMN1; SMN2 (0.49) ADORA2AADORA1PDE5AHPGDSMN1; SMN2
SCHEMBL14727824 0.81 PDE5A (0.54) ABCG2PDE5AKDM4EHPGDALDH1A1

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
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
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 WNT1 2583/4885DYRK1A 413/4885ABCG2 3042/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG WNT1 1788/4885DYRK1A 233/4885ABCG2 2822/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA WNT1 2583/4885DYRK1A 413/4885ABCG2 3042/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB WNT1 2632/4885DYRK1A 594/4885ABCG2 1597/4885

“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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