SCHEMBL16184269

SCHEMBL16184269

CNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(Cl)cc3Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ PDE5A O76074 5/20 0.44
▸ ROS1 P08922 2/20 0.42
▸ MAT2A P31153 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CRHR1 P34998 2/20 0.37
▸ KLK7 P49862 1/20 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
SCHEMBL16184271 0.93 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16184267 0.89 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16184265 0.88 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16184266 0.88 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16184270 0.87 CYP3A4 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16184268 0.85 CLK4 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16184272 0.85 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL14475094 0.83 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16183598 0.83 CYP3A4 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16183611 0.83 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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 4456/4885CYP2C9 4632/4885

“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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