SCHEMBL16185102

SCHEMBL16185102

CNc1nc(-c2cccnc2)nc2c(OCCC#N)cc(-c3ccc(F)c(F)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ GBA1 P04062 4/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ PDE5A O76074 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL16184962 0.92 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16184935 0.91 ABCG2 (0.42) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185072 0.91 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185094 0.90 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185096 0.90 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16184907 0.89 CYP1A2 (0.44) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185095 0.89 CYP3A4 (0.43) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185098 0.89 CYP1A2 (0.43) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185045 0.88 CYP1A2 (0.40) CYP1A2CYP3A4HSD17B10CLK4CYP2D6
SCHEMBL16185099 0.88 CYP1A2 (0.42) CYP1A2CYP3A4HSD17B10CLK4CYP2D6

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 CYP1A2 2971/4885CYP3A4 4456/4885HSD17B10 2670/4885

“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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