SCHEMBL14727366

SCHEMBL14727366

N#Cc1ccc(Nc2nc(-c3cccnc3)nc3ccc(Cl)cc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.75
PDE5A O76074 4/20 0.59
CYP1A2 P05177 4/20 0.57
CYP3A4 P08684 3/20 0.57
TSHR P16473 3/20 0.57
USP2 O75604 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.54
KDM1A O60341 1/20 0.52
CYP2C9 P11712 1/20 0.52
CASP1 P29466 1/20 0.52

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
SCHEMBL2155652 0.90 PDE5A (0.67) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14474872 0.88 CYP1A2 (0.72) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14727344 0.88 CYP1A2 (0.73) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14727349 0.86 MAPT (0.73) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL2156836 0.85 ABCG2 (0.63) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14475489 0.85 ABCG2 (0.62) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14727346 0.83 ABCG2 (0.79) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14475442 0.83 ABCG2 (0.63) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14727367 0.83 ABCG2 (0.52) ABCG2PDE5ACYP1A2CYP3A4TSHR
SCHEMBL14475047 0.83 PDE5A (0.63) ABCG2PDE5ACYP1A2CYP3A4TSHR

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 10 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
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

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 3042/4885PDE5A 748/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885PDE5A 979/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885PDE5A 748/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885PDE5A 704/4885CYP1A2 2971/4885

“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.