SCHEMBL14474663

SCHEMBL14474663

CCOc1cc(-c2ccc(C)cc2F)cc2c(NC)nc(-c3cccnc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ PDE5A O76074 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ GBA1 P04062 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL14358596 0.92 CYP1A2 (0.43) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184850 0.90 HSD17B10 (0.47) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184123 0.90 CYP1A2 (0.45) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184895 0.90 CYP11B1 (0.44) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184883 0.88 HSD17B10 (0.43) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14474651 0.88 GRM5 (0.44) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184887 0.86 CYP19A1 (0.44) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184847 0.86 CYP1A2 (0.43) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184844 0.86 HSD17B10 (0.43) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184866 0.86 HSD17B10 (0.45) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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 (1 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB HSD17B10 2670/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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.

Send feedback