SCHEMBL14474368

SCHEMBL14474368

COc1ccc2nc(-c3cccnc3)nc(Nc3cc(Cl)ccc3C(N)=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.57
ABCB1 P08183 2/20 0.51
PDE5A O76074 3/20 0.48
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP19A1 P11511 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL14474377 0.93 ABCG2 (0.57) ABCG2ABCB1PDE5AMAPTKDM4E
SCHEMBL14475404 0.91 ABCG2 (0.48) ABCG2ABCB1PDE5AMAPTKDM4E
SCHEMBL14474399 0.90 ABCG2 (0.58) ABCG2ABCB1PDE5AMAPTKDM4E
SCHEMBL2155854 0.89 ABCG2 (0.60) ABCG2ABCB1MAPTKDM4EMEN1
SCHEMBL14358798 0.89 ABCG2 (0.60) ABCG2ABCB1MAPTKDM4EMEN1
SCHEMBL14474384 0.88 PDE5A (0.53) ABCG2PDE5AMAPTKDM4EGAA
SCHEMBL14475441 0.87 ABCG2 (0.54) ABCG2ABCB1MAPTKDM4EMEN1
SCHEMBL14731233 0.87 ABCG2 (0.54) ABCG2ABCB1MAPTKDM4EMEN1
SCHEMBL14474010 0.87 ABCG2 (0.54) ABCG2ABCB1MAPTKDM4EMEN1
SCHEMBL20273385 0.87 ABCG2 (0.59) ABCG2ABCB1PDE5AMAPTKDM4E

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
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
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 3042/4885ABCB1 4803/4885PDE5A 748/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885ABCB1 4758/4885PDE5A 979/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885ABCB1 4803/4885PDE5A 748/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ABCG2 1597/4885ABCB1 3803/4885PDE5A 704/4885

“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.