SCHEMBL14474385

SCHEMBL14474385

NC(=O)c1ccc(OC(F)(F)F)cc1Nc1nc(-c2cccnc2)nc2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.52
ABCG2 Q9UNQ0 9/20 0.47
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
POLB P06746 1/20 0.42
KDR P35968 1/20 0.42
ABCB1 P08183 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14475441 0.92 ABCG2 (0.54) ABCG2KDM4EMAPTCYP1A2CYP3A4
SCHEMBL14474360 0.90 MAPK8 (0.49) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL14474430 0.89 PDE5A (0.58) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL14726140 0.88 KDM4E (0.48) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL14474399 0.86 ABCG2 (0.58) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL14474384 0.85 PDE5A (0.53) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL16183257 0.85 PDE5A (0.59) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL14726079 0.84 MAPK8 (0.49) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL14726133 0.84 ABCG2 (0.49) PDE5AABCG2KDM4EMAPTCYP1A2
SCHEMBL14474010 0.82 ABCG2 (0.54) ABCG2KDM4EMAPTCYP1A2CYP3A4

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
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 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-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 PDE5A 748/4885ABCG2 3042/4885KDM4E 1215/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885ABCG2 2822/4885KDM4E 1069/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA PDE5A 748/4885ABCG2 3042/4885KDM4E 1215/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885ABCG2 1597/4885KDM4E 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.