SCHEMBL16184333

SCHEMBL16184333

CNc1nc(-c2cnccn2)nc2ccc(-c3cc(Cl)ccc3F)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TGFBR1 P36897 8/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 0.39
▸ MAT2A P31153 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ TGFBR2 P37173 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ LIMK1 P53667 2/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ HSD11B1 P28845 1/20 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
SCHEMBL16184331 0.94 NPC1 (0.40) NPC1RAB9ATGFBR1PRKD3PRKD1
SCHEMBL16184325 0.92 NPC1 (0.42) NPC1RAB9ATGFBR1PKMALDH1A1
SCHEMBL16184322 0.88 NPC1 (0.43) NPC1RAB9AMAT2APKMALDH1A1
SCHEMBL16184323 0.87 MAP4K4 (0.41) NPC1RAB9ATGFBR1MAT2APKM
SCHEMBL16184330 0.87 NPC1 (0.41) NPC1RAB9APKMALOX5APFEN1
SCHEMBL16184338 0.86 NPC1 (0.54) NPC1RAB9AMETAP2METAP1LIMK1
SCHEMBL16184321 0.86 ALOX5AP (0.40) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL14474740 0.86 NPC1 (0.42) NPC1RAB9AALOX5APFEN1GRM1
SCHEMBL14474742 0.85 FEN1 (0.43) NPC1RAB9ATGFBR1PKMALOX5AP
SCHEMBL16184332 0.85 NPC1 (0.47) NPC1RAB9AMETAP2METAP1LIMK1

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 1340/4885TGFBR1 4861/4885

“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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