SCHEMBL16184361

SCHEMBL16184361

CNc1nc(-c2cnccn2)nc2c(F)cc(-c3cccc(F)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.42
▸ ABCG2 Q9UNQ0 3/20 0.39
▸ WNT1 P04628 2/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP11B1 P15538 1/20 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
SCHEMBL16184368 0.90 GRM5 (0.38) MAP4K4TGFBR1CYP3A4CLK4CYP1A2
SCHEMBL16184370 0.90 MAP4K4 (0.45) MAP4K4TGFBR1CYP3A4CLK4CYP1A2
SCHEMBL16184183 0.89 KIT (0.41) MAP4K4ABCG2WNT1TGFBR1GRM5
SCHEMBL16184364 0.89 LATS1 (0.37) TGFBR1CYP3A4CLK4CYP1A2CYP2D6
SCHEMBL16184371 0.88 CYP17A1 (0.36) CYP3A4CLK4CYP1A2CYP2D6CYP2C9
SCHEMBL16185137 0.87 GRM5 (0.46) MAP4K4ABCG2WNT1TGFBR1CCNT1
SCHEMBL16184377 0.87 CYP1A2 (0.47) ABCG2CYP3A4CLK4CYP1A2CYP2D6
SCHEMBL16183897 0.86 CYP1A2 (0.53) MAP4K4ABCG2CYP3A4CLK4CYP1A2
SCHEMBL16184365 0.85 FEN1 (0.41) TGFBR1CYP3A4CLK4CYP1A2CYP2D6
SCHEMBL16184367 0.85 NPC1 (0.39) TGFBR1CYP3A4CLK4CYP1A2CYP2D6

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 MAP4K4 635/4885ABCG2 1597/4885WNT1 2632/4885

“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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