SCHEMBL16184326

SCHEMBL16184326

CNc1nc(-c2cnccn2)nc2ccc(-c3cccc(F)c3F)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ LATS1 O95835 2/20 0.33
▸ LATS2 Q9NRM7 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PIM1 P11309 1/20 0.33

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
SCHEMBL16184321 0.93 ALOX5AP (0.40) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL16184336 0.92 NPC1 (0.38) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL16184337 0.89 NPC1 (0.41) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL16184324 0.87 CYP1A2 (0.44) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL14474740 0.87 NPC1 (0.42) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL16184319 0.86 MAP4K4 (0.44) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL16184325 0.86 NPC1 (0.42) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL16184318 0.85 NPC1 (0.41) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL16184339 0.84 CYP1A2 (0.41) ALOX5APFEN1RAB9ANPC1CYP1A2
SCHEMBL14474742 0.84 FEN1 (0.43) ALOX5APFEN1RAB9ANPC1CYP1A2

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 ALOX5AP 2918/4885FEN1 3258/4885RAB9A 1340/4885

“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.

Send feedback