SCHEMBL14475879

SCHEMBL14475879

CC(=O)Nc1nc(-c2cccnc2)nc2ccc(-c3cccc(F)c3F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ ADORA3 P0DMS8 3/20 0.48
▸ CYP1A2 P05177 5/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ PDE5A O76074 3/20 0.46
▸ ABCG2 Q9UNQ0 4/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GMNN O75496 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 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
SCHEMBL14475170 0.87 CYP1A2 (0.59) CYP1A2CYP3A4CLK4TSHRPDE5A
SCHEMBL14727824 0.84 PDE5A (0.54) CYP1A2CYP3A4CLK4TSHRPDE5A
SCHEMBL16184553 0.83 MAPT (0.45) WNT1DYRK1AADORA3CYP1A2CYP3A4
SCHEMBL14475857 0.82 ADORA3 (0.53) ADORA3CYP1A2CYP3A4CLK4TSHR
SCHEMBL16183743 0.82 PDE5A (0.53) PDE5ALMNAALDH1A1HPGDUSP1
SCHEMBL16183755 0.81 CYP3A4 (0.45) WNT1DYRK1ACYP1A2CYP3A4CLK4
SCHEMBL16183675 0.81 MEN1 (0.63) DYRK1ACYP1A2CYP3A4CLK4TSHR
SCHEMBL16184423 0.81 CYP1A2 (0.54) ADORA3CYP1A2CYP3A4CLK4TSHR
SCHEMBL14474539 0.81 ABCG2 (0.57) DYRK1ACYP1A2CYP3A4CLK4TSHR
SCHEMBL14727595 0.80 CYP1A2 (0.55) CYP1A2CYP3A4CLK4TSHRPDE5A

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 9 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
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 413/4885ADORA3 2920/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG WNT1 1788/4885DYRK1A 233/4885ADORA3 3469/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA WNT1 2583/4885DYRK1A 413/4885ADORA3 2920/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB WNT1 2632/4885DYRK1A 594/4885ADORA3 2020/4885

“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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