SCHEMBL14727632

SCHEMBL14727632

Nc1nc(-c2cccnc2)nc2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
GBA1 P04062 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CYP3A4 P08684 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL2154726 0.89 KMT2A (0.55) CYP1A2CYP1A1CYP1B1GBA1CYP11B1
SCHEMBL2162585 0.83 CYP11B1 (0.49) CYP1A2GBA1CYP11B1CYP11B2KMT2A
SCHEMBL14358473 0.83 CYP11B1 (0.49) CYP1A2GBA1CYP11B1CYP11B2KMT2A
SCHEMBL13272569 0.81 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1GBA1KMT2A
SCHEMBL29650643 0.81 MAPT (0.49) CYP1A2GBA1ADORA2AADORA1KMT2A
SCHEMBL30843879 0.81 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1GBA1KMT2A
SCHEMBL30804557 0.81 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1GBA1KMT2A
SCHEMBL14359091 0.80 CYP1A2 (0.70) CYP1A2GBA1KMT2AKDM4ETDP1
SCHEMBL14727633 0.80 MEN1 (0.70) CYP1A2GBA1KMT2ARXFP1CYP3A4
SCHEMBL14358804 0.80 MAPT (0.56) CYP1A2GBA1CYP11B1CYP11B2KMT2A

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 9 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
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-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 CYP1A2 4552/4885CYP1A1 4677/4885CYP1B1 4455/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP1A1 4676/4885CYP1B1 4179/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP1A1 4677/4885CYP1B1 4455/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB CYP1A2 2971/4885CYP1A1 3122/4885CYP1B1 3644/4885

“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.