SCHEMBL14727979

SCHEMBL14727979

CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(OCC(=O)N4CCOCC4)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.48
ALDH1A1 P00352 3/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
PTK2 Q05397 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL14474120 0.94 CYP3A4 (0.46) FKBP1AUSP2CYP3A4CYP1A2CYP2D6
SCHEMBL14727996 0.92 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4CYP1A2CYP2D6
SCHEMBL14475887 0.86 CYP3A4 (0.46) ALDH1A1USP2HPGDCYP3A4CYP1A2
SCHEMBL14727503 0.86 MAPT (0.55) ALDH1A1HPGDCYP3A4CYP1A2CYP2D6
SCHEMBL14474096 0.85 GAA (0.46) ALDH1A1HPGDCYP3A4CYP1A2CYP2D6
SCHEMBL2154778 0.84 CYP1A2 (0.57) ALDH1A1USP2CYP3A4CYP1A2CYP2D6
SCHEMBL14727501 0.83 MAPT (0.51) ALDH1A1HPGDCYP3A4CYP1A2CYP2D6
SCHEMBL14727997 0.83 GBA1 (0.45) ALDH1A1USP2CYP3A4CYP1A2CYP2D6
SCHEMBL14475863 0.81 PDE5A (0.51) HPGDCYP3A4CYP1A2CYP2D6LMNA
SCHEMBL14474060 0.81 EGFR (0.48) FKBP1AHPGDCYP3A4CYP1A2MEN1

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 FKBP1A 1819/4885ALDH1A1 2216/4885USP2 1891/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG FKBP1A 1796/4885ALDH1A1 2732/4885USP2 1944/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA FKBP1A 1819/4885ALDH1A1 2216/4885USP2 1891/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB FKBP1A 1149/4885ALDH1A1 1687/4885USP2 2663/4885

“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.