SCHEMBL14727633

SCHEMBL14727633

CN(C)c1nc(-c2cccnc2)nc2cc(Br)ccc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP1A2 P05177 1/20 0.70
GLA P06280 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
KMT2A Q03164 1/20 0.70
CLK4 Q9HAZ1 1/20 0.70
LATS1 O95835 1/20 0.53
LATS2 Q9NRM7 1/20 0.53
GBA1 P04062 15/20 0.51
ADRB2 P07550 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL14727523 0.90 CYP1A2 (0.70) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL16183628 0.84 GBA1 (0.60) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL20609337 0.82 ALDH1A1 (1.00) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL2162585 0.80 CYP11B1 (0.49) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL14727632 0.80 CYP1A2 (0.50) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL14358473 0.80 CYP11B1 (0.49) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL16183627 0.80 CYP1A2 (0.62) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL14358804 0.80 MAPT (0.56) MEN1ALDH1A1CYP1A2GLACYP3A4
SCHEMBL14359091 0.80 CYP1A2 (0.70) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14474589 0.77 MEN1 (0.59) MEN1ALDH1A1CYP1A2GLACYP3A4

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
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 MEN1 4790/4885ALDH1A1 2216/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MEN1 4770/4885ALDH1A1 2732/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MEN1 4790/4885ALDH1A1 2216/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MEN1 4814/4885ALDH1A1 1687/4885CYP1A2 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.