SCHEMBL14474583

SCHEMBL14474583

Nc1nc(-c2cccnc2)nc2cc(-c3cc(F)ccc3F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.48
▸ DHFR P00374 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA5 P30532 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ POLB P06746 1/20 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
SCHEMBL16183745 0.86 PDE5A (0.48) PDE5AKDM4EHPGDMAPTCYP1A2
SCHEMBL16183631 0.86 DHFR (0.54) PDE5ADHFRHPGDMAPTABCG2
SCHEMBL14474589 0.84 MEN1 (0.59) PDE5AKDM4ECYP1A2CYP3A4TSHR
SCHEMBL14359191 0.84 CYP1A2 (0.59) PDE5AKDM4EHPGDMAPTCYP1A2
SCHEMBL16183626 0.82 DHFR (0.46) PDE5ADHFRKDM4EHPGDMAPT
SCHEMBL14475173 0.82 PDE5A (0.49) PDE5AKDM4EHPGDMAPTCYP1A2
SCHEMBL16184237 0.81 TSHR (0.57) PDE5AMAPTCYP1A2CYP3A4TSHR
SCHEMBL16183725 0.81 PDE5A (0.53) PDE5AKDM4EHPGDMAPTCYP1A2
SCHEMBL16184261 0.79 ALDH1A1 (0.45) PDE5AKDM4EHPGDMAPTCYP1A2
SCHEMBL14475206 0.79 MAP4K4 (0.53) PDE5AKDM4EHPGDMAPTCYP1A2

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 PDE5A 748/4885DHFR 2295/4885KDM4E 1215/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885DHFR 2619/4885KDM4E 1069/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885DHFR 2295/4885KDM4E 1215/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885DHFR 2703/4885KDM4E 1395/4885

“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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