SCHEMBL14474685

SCHEMBL14474685

CNc1nc(-c2cncnc2)nc2c(OC)cc(-c3ccc(F)cc3F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAP3K11 Q16584 2/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ KIT P10721 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.35

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
SCHEMBL14474193 0.92 CYP1A2 (0.39) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL16183494 0.90 CYP1A2 (0.46) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL14474184 0.89 CYP1A2 (0.42) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL16185150 0.89 GRM5 (0.40) LMNAMAP3K11KIT
SCHEMBL16185126 0.88 CYP1A2 (0.45) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL14474670 0.87 PSEN1 (0.42) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL14474194 0.86 KIT (0.39) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL14474683 0.85 CYP1A2 (0.41) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL16185135 0.85 KIT (0.44) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL14474677 0.85 SCN9A (0.43) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10

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 3 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
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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 4456/4885TDP1 288/4885

“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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