SCHEMBL16183465

SCHEMBL16183465

CNc1nc(-c2ccc(C)nc2)nc2cc(-c3cc(F)ccc3F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.42
▸ CYP1A2 P05177 6/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ GRM2 Q14416 1/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ LATS2 Q9NRM7 1/20 0.38
▸ CYP1A1 P04798 2/20 0.38
▸ ABL1 P00519 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36

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
SCHEMBL16183460 0.91 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL16183463 0.88 TDO2 (0.40) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL14359191 0.87 CYP1A2 (0.59) GBA1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183459 0.86 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL17212410 0.85 AURKA (0.52) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL16183464 0.85 GBA1 (0.42) GBA1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183461 0.84 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL16183468 0.83 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6
SCHEMBL14727816 0.82 GBA1 (0.42) GBA1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183731 0.82 LATS1 (0.41) CYP1A2CYP3A4CYP2C19HSD17B10CYP2D6

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 GBA1 1316/4885CYP1A2 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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