SCHEMBL16183846

SCHEMBL16183846

CNc1nc(-c2cccnc2)nc2c(F)c(-c3ccc(C#N)cc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP11B2 P19099 5/20 0.45
▸ CYP11B1 P15538 4/20 0.41
▸ CYP17A1 P05093 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SQOR Q9Y6N5 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 2/20 0.39

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
SCHEMBL16183845 0.90 CYP1A2 (0.51) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL14358570 0.89 CYP3A4 (0.54) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL14727723 0.89 ABCG2 (0.49) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL14475235 0.88 CYP1A2 (0.62) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL16183860 0.87 CYP3A4 (0.52) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL16183853 0.87 CYP3A4 (0.54) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL16184385 0.86 CYP3A4 (0.51) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL16184345 0.85 ALDH1A1 (0.38) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL16183862 0.84 CYP3A4 (0.49) ABCG2CYP3A4CYP1A2CYP2C19CLK4
SCHEMBL16183852 0.84 CYP11B2 (0.52) ABCG2CYP3A4CYP1A2CYP2C19CLK4

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 1597/4885CYP3A4 4456/4885CYP1A2 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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