SCHEMBL14475232

SCHEMBL14475232

Oc1nc(-c2cccnc2)nc2cc(Cl)c(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
CYP3A4 P08684 5/20 0.43
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE5A O76074 6/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP17A1 P05093 2/20 0.41
TDO2 P48775 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
MEN1 O00255 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
SCHEMBL14474154 0.85 CYP3A4 (0.43) CYP11B1CYP11B2CYP3A4CYP1A2TSHR
SCHEMBL14358955 0.83 CYP3A4 (0.43) CYP11B1CYP11B2CYP3A4CYP1A2TSHR
SCHEMBL14359105 0.81 CYP1A2 (0.62) CYP3A4CYP1A2TSHRCYP2C19HSD17B10
SCHEMBL27953880 0.80 PDE5A (0.60) CYP11B1CYP11B2CYP3A4CYP1A2TSHR
SCHEMBL16183771 0.76 ABCG2 (0.55) CYP3A4CYP1A2TSHRCYP2C19HSD17B10
SCHEMBL14358640 0.75 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4CYP1A2TSHR
SCHEMBL16183749 0.75 PDE5A (0.49) CYP11B1CYP11B2CYP3A4CYP1A2TSHR
SCHEMBL16183755 0.75 CYP3A4 (0.45) CYP11B1CYP11B2CYP3A4CYP1A2TSHR
SCHEMBL2155318 0.75 KMT2A (0.55) CYP11B1CYP11B2CYP3A4CYP1A2TSHR
SCHEMBL2154688 0.75 GBA1 (0.49) CYP3A4CYP1A2TSHRCYP2C19HSD17B10

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 CYP11B1 2235/4885CYP11B2 2204/4885CYP3A4 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.