SCHEMBL14475404

SCHEMBL14475404

CCOc1ccc2nc(-c3cccnc3)nc(Nc3cc(Cl)ccc3C(N)=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.48
PDE5A O76074 3/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
UBE2N P61088 1/20 0.46

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
SCHEMBL14726133 0.91 ABCG2 (0.49) ABCG2PDE5AMKNK1MKNK2KDM4E
SCHEMBL14474368 0.91 ABCG2 (0.57) ABCG2PDE5AKDM4EMAPTNPSR1
SCHEMBL14726046 0.90 ABCG2 (0.51) ABCG2PDE5AMKNK1MKNK2KDM4E
SCHEMBL14474047 0.88 KDM4E (0.46) ABCG2PDE5AMKNK1MKNK2KDM4E
SCHEMBL14474466 0.88 ABCG2 (0.46) ABCG2MKNK1MKNK2KDM4EMAPT
SCHEMBL14474012 0.88 ABCG2 (0.47) ABCG2MKNK1MKNK2KDM4EMAPT
SCHEMBL16184006 0.86 ABCG2 (0.49) ABCG2PDE5AMKNK1MKNK2KDM4E
SCHEMBL14474384 0.85 PDE5A (0.53) ABCG2PDE5AKDM4EMAPTCYP1A2
SCHEMBL14474377 0.84 ABCG2 (0.57) ABCG2PDE5AKDM4EMAPTNPSR1
SCHEMBL14475745 0.84 ABCG2 (0.50) ABCG2MKNK1MKNK2KDM4EMAPT

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 ABCG2 3042/4885PDE5A 748/4885MKNK1 598/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885PDE5A 979/4885MKNK1 365/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885PDE5A 748/4885MKNK1 598/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885PDE5A 704/4885MKNK1 537/4885

“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.