SCHEMBL16183430

SCHEMBL16183430

CNc1nc(-c2cnccn2)nc2cc(-c3cccc(OC)c3OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.46
▸ CYP1A2 P05177 6/20 0.46
▸ CYP3A4 P08684 6/20 0.46
▸ CYP2D6 P10635 6/20 0.46
▸ CYP2C19 P33261 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 1/20 0.43
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ SYK P43405 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39

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
SCHEMBL16183427 0.91 CYP1A2 (0.54) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183433 0.88 CYP1A2 (0.44) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183434 0.84 ABCG2 (0.45) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183431 0.83 SYK (0.44) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183432 0.83 DHFR (0.48) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184173 0.83 CYP1A2 (0.52) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183428 0.82 CYP1A2 (0.52) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184075 0.82 CYP1A2 (0.43) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184165 0.82 CYP1A2 (0.51) HSD17B10CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183729 0.81 CYP1A2 (0.41) 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 2 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

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.

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