SCHEMBL16183463

SCHEMBL16183463

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ CYP1A2 P05177 5/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ PDE5A O76074 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ FEN1 P39748 5/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ LATS2 Q9NRM7 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ ALOX5AP P20292 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ CYP1A1 P04798 2/20 0.37

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 0.90 CYP1A2 (0.40) TDO2ABL1CYP1A2CYP3A4CYP2D6
SCHEMBL16183465 0.88 GBA1 (0.42) TDO2ABL1CYP1A2CYP3A4CYP2D6
SCHEMBL16183459 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL17212410 0.84 AURKA (0.52) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL14359191 0.84 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL16183461 0.83 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL16183468 0.82 CYP1A2 (0.40) ABL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183464 0.82 GBA1 (0.42) TDO2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183731 0.81 LATS1 (0.41) ABL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183466 0.79 SYK (0.45) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10

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 TDO2 1748/4885ABL1 39/4885CYP1A2 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.

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