SCHEMBL14474998

SCHEMBL14474998

Nc1nc(-c2cccnc2)nc2ccc(-c3cccc(F)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.55
▸ MAP4K4 O95819 1/20 0.53
▸ PDE5A O76074 4/20 0.50
▸ GBA1 P04062 2/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NT5E P21589 2/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ USP2 O75604 1/20 0.44

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
SCHEMBL14475050 0.91 CYP1A2 (0.54) ABCG2MAP4K4PDE5AGBA1CYP1A2
SCHEMBL16183519 0.89 MAP4K4 (0.58) ABCG2MAP4K4NT5EADORA2AADORA1
SCHEMBL14475037 0.87 MEN1 (0.59) ABCG2MAP4K4GBA1CYP1A2CYP3A4
SCHEMBL16183524 0.86 MAP4K4 (0.55) ABCG2MAP4K4GBA1CYP1A2NT5E
SCHEMBL14475173 0.86 PDE5A (0.49) ABCG2PDE5AGBA1CYP1A2CYP3A4
SCHEMBL14475168 0.86 PIK3CA (0.49) ABCG2MAP4K4PDE5ACYP1A2CYP3A4
SCHEMBL16183771 0.85 ABCG2 (0.55) ABCG2PDE5AGBA1CYP1A2CYP3A4
SCHEMBL14475072 0.85 MAP4K4 (0.53) ABCG2MAP4K4PDE5ACYP1A2CYP3A4
SCHEMBL14358722 0.85 ABCG2 (0.55) ABCG2PDE5AGBA1CYP1A2CYP3A4
SCHEMBL18023076 0.84 POLB (0.49) ABCG2MAP4K4PDE5ACYP1A2CYP3A4

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 3042/4885MAP4K4 611/4885PDE5A 748/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885MAP4K4 467/4885PDE5A 979/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885MAP4K4 611/4885PDE5A 748/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885MAP4K4 635/4885PDE5A 704/4885

“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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