SCHEMBL16184359

SCHEMBL16184359

CNc1nc(-c2cnccn2)nc2c(F)c(-c3ccccc3F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ CYP1A2 P05177 5/20 0.36
▸ CYP2D6 P10635 5/20 0.36
▸ CYP2C19 P33261 5/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL16184355 0.93 ALOX5AP (0.35) PIM1ALOX5APFEN1CYP1A2CYP2D6
SCHEMBL16184357 0.89 CYP1A2 (0.44) PIM1ALOX5APFEN1CYP1A2CYP2D6
SCHEMBL14474743 0.88 NPC1 (0.42) ALOX5APFEN1CYP1A2CYP2D6CYP2C19
SCHEMBL16184358 0.87 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16184348 0.87 NPC1 (0.41) PIM1ALOX5APFEN1TGFBR1TGFBR2
SCHEMBL16184340 0.85 NPC1 (0.38) PIM1ALOX5APFEN1CYP1A2CYP2D6
SCHEMBL16184353 0.84 FEN1 (0.40) PIM1ALOX5APFEN1CYP1A2CYP2D6
SCHEMBL16184351 0.83 NPC1 (0.37) PIM1ALOX5APFEN1CYP1A2CYP2D6
SCHEMBL16184362 0.83 FEN1 (0.42) PIM1ALOX5APFEN1CYP1A2CYP2D6
SCHEMBL16183847 0.83 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10

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 PIM1 2266/4885ALOX5AP 2918/4885FEN1 3258/4885

“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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