SCHEMBL14727997

SCHEMBL14727997

CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(OCC(=O)c4ccc(N5CCCC5)cc4)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.45
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KDM4A O75164 1/20 0.43
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
PDE5A O76074 3/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL14474107 0.95 GBA1 (0.44) GBA1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL14475863 0.88 PDE5A (0.51) GBA1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL14727996 0.85 ALDH1A1 (0.51) GBA1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL20273599 0.85 GBA1 (0.44) GBA1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL14727979 0.83 FKBP1A (0.48) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14475887 0.80 CYP3A4 (0.46) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17212402 0.80 KDR (0.50) GBA1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL14474098 0.79 MEN1 (0.48) GBA1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL14475562 0.79 HPGD (0.58) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14475909 0.78 CYP1A2 (0.61) GBA1HSD17B10CYP1A2CYP3A4CYP2D6

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 8 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-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 GBA1 304/4885HSD17B10 2489/4885CYP1A2 4552/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG GBA1 853/4885HSD17B10 2306/4885CYP1A2 4619/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA GBA1 304/4885HSD17B10 2489/4885CYP1A2 4552/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB GBA1 1316/4885HSD17B10 2670/4885CYP1A2 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.