SCHEMBL16184929

SCHEMBL16184929

CNc1nc(-c2cccnc2)nc2c(OCC(C)C)cc(-c3cccc(F)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ GBA1 P04062 3/20 0.41
▸ PDE5A O76074 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRM5 P41594 2/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL16185067 0.94 CYP1A2 (0.45) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16184958 0.93 CYP1A2 (0.45) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16185097 0.90 CYP1A2 (0.43) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16184848 0.90 GRM5 (0.48) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16185044 0.89 CYP1A2 (0.41) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16185013 0.89 CYP1A2 (0.41) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16184936 0.89 ABCG2 (0.42) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16184930 0.88 ABCG2 (0.45) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16184927 0.88 ABCG2 (0.45) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16184928 0.87 ABCG2 (0.44) ABCG2CLK4CYP1A2CYP3A4CYP2C19

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 ABCG2 1597/4885CLK4 1084/4885CYP1A2 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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