SCHEMBL14727273

SCHEMBL14727273

COc1ccc2nc(-c3cccnc3)nc(Nc3ccccc3C(=O)NCc3cccs3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
USP2 O75604 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
TSHR P16473 3/20 0.51
CYP2C19 P33261 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP2C9 P11712 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 5/20 0.51
TP53 P04637 2/20 0.51
ABCG2 Q9UNQ0 9/20 0.50
PDE5A O76074 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 4/20 0.48
MAPK1 P28482 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL16183277 0.93 KDR (0.49) KDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL14475770 0.91 USP2 (0.51) KDRUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL14473990 0.89 MAPT (0.56) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14727269 0.88 ABCG2 (0.54) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14474087 0.87 ABCG2 (0.55) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14474896 0.87 ABCG2 (0.54) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14727270 0.86 ALDH1A1 (0.60) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14474043 0.86 ABCG2 (0.54) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14475582 0.86 ABCG2 (0.49) USP2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14727427 0.85 ABCG2 (0.51) USP2CYP1A2CYP3A4CYP2D6TSHR

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
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
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP 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 KDR 3024/4885USP2 1891/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG KDR 2226/4885USP2 1944/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA KDR 3024/4885USP2 1891/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB KDR 4383/4885USP2 2663/4885CYP1A2 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.