SCHEMBL16184348

SCHEMBL16184348

CNc1nc(-c2cnccn2)nc2c(F)c(-c3cc(F)ccc3F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GRM1 Q13255 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ MAT2A P31153 1/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ GAK O14976 1/20 0.33
▸ EPHA1 P21709 1/20 0.33
▸ EPHA2 P29317 1/20 0.33
▸ EPHA3 P29320 1/20 0.33
▸ EPHB2 P29323 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ EPHB3 P54753 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ EPHB1 P54762 1/20 0.33
▸ EPHA4 P54764 1/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 1/20 0.33
▸ ALOX5AP P20292 2/20 0.32

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
SCHEMBL14474743 0.93 NPC1 (0.42) NPC1RAB9AGRM1CASP6MAT2A
SCHEMBL16184340 0.88 NPC1 (0.38) NPC1RAB9AGRM1CASP6MAT2A
SCHEMBL16184359 0.87 PIM1 (0.39) NPC1RAB9AMAT2AALOX5APFEN1
SCHEMBL16184353 0.86 FEN1 (0.40) NPC1RAB9AMAT2AALOX5APFEN1
SCHEMBL16184351 0.86 NPC1 (0.37) NPC1RAB9AGRM1CASP6MAT2A
SCHEMBL16184343 0.85 WNT1 (0.41) NPC1RAB9ACASP6MAT2AALOX5AP
SCHEMBL16184367 0.85 NPC1 (0.39) NPC1RAB9AGRM1CASP6MAT2A
SCHEMBL16184355 0.85 ALOX5AP (0.35) NPC1RAB9ACASP6MAT2AALOX5AP
SCHEMBL16184325 0.84 NPC1 (0.42) NPC1RAB9AGRM1CASP6ABL1
SCHEMBL16183848 0.83 CYP3A4 (0.50) RAB9AKDM4EALDH1A1CYP11B2

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 NPC1 2208/4885RAB9A 1340/4885GRM1 54/4885

“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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