SCHEMBL16183908

SCHEMBL16183908

CNc1nc(-c2cccnc2)nc2c(F)cc(-c3cccc(OC)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 8/20 0.52
▸ ABCB1 P08183 2/20 0.52
▸ MAPT P10636 3/20 0.49
▸ CYP1A2 P05177 5/20 0.49
▸ CYP3A4 P08684 5/20 0.49
▸ CYP2D6 P10635 5/20 0.49
▸ CYP2C19 P33261 5/20 0.49
▸ CLK4 Q9HAZ1 4/20 0.49
▸ CYP2C9 P11712 4/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ PIK3CA P42336 1/20 0.48
▸ CYP19A1 P11511 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL16183907 0.91 CYP1A2 (0.50) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14358703 0.90 ABCG2 (0.52) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14475127 0.90 ABCG2 (0.52) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14474058 0.89 ABCG2 (0.51) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL16183897 0.87 CYP1A2 (0.53) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL14475065 0.87 MAPT (0.49) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL16183902 0.86 CYP1A2 (0.54) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL16184849 0.85 MAPT (0.48) ABCG2ABCB1MAPTCYP1A2CYP3A4
SCHEMBL16184398 0.85 CYP1A2 (0.51) ABCG2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16183903 0.85 CYP1A2 (0.55) ABCG2ABCB1MAPTCYP1A2CYP3A4

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 1597/4885ABCB1 3803/4885MAPT 509/4885

“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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