SCHEMBL14474746

SCHEMBL14474746

CNc1nc(-c2cnccn2)nc2ccc(-c3cc(F)cc(F)c3)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAP4K4 O95819 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ LATS1 O95835 1/20 0.35
▸ LATS2 Q9NRM7 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ PDE5A O76074 2/20 0.32
▸ LIMK1 P53667 3/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL16184335 0.93 NPC1 (0.41) NPC1RAB9AMAP4K4GRM5LATS1
SCHEMBL16184319 0.92 MAP4K4 (0.44) NPC1RAB9AMAP4K4LATS1LATS2
SCHEMBL16184318 0.91 NPC1 (0.41) NPC1RAB9AMAP4K4LATS1LATS2
SCHEMBL14474740 0.88 NPC1 (0.42) NPC1RAB9AMAP4K4LATS1LATS2
SCHEMBL14474742 0.87 FEN1 (0.43) NPC1RAB9ALATS1LATS2ALOX5AP
SCHEMBL16184325 0.87 NPC1 (0.42) NPC1RAB9AMAP4K4LATS1LATS2
SCHEMBL16184322 0.86 NPC1 (0.43) NPC1RAB9ALATS1LATS2ALOX5AP
SCHEMBL16184338 0.86 NPC1 (0.54) NPC1RAB9ACYP11B2CASP6LIMK1
SCHEMBL16183250 0.86 GRM5 (0.44) NPC1RAB9AMAP4K4GRM5ABCG2
SCHEMBL16184332 0.85 NPC1 (0.47) NPC1RAB9ACYP11B2CYP1A2CYP3A4

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 NPC1 2208/4885RAB9A 1340/4885MAP4K4 635/4885

“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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