SCHEMBL16184369

SCHEMBL16184369

CNc1nc(-c2cnccn2)nc2c(F)cc(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAT2A P31153 3/20 0.39
▸ NR1I2 O75469 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ LATS1 O95835 1/20 0.35
▸ LATS2 Q9NRM7 1/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ LRRK2 Q5S007 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

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
SCHEMBL16184364 0.92 LATS1 (0.37) NPC1RAB9APKMLATS1LATS2
SCHEMBL16184384 0.92 NPC1 (0.37) NPC1RAB9APKMMAT2APTGES2
SCHEMBL16184371 0.91 CYP17A1 (0.36) NPC1RAB9APKMMAT2APTGES2
SCHEMBL16184373 0.90 NPC1 (0.36) NPC1RAB9APKMMAT2APTGES2
SCHEMBL16184375 0.89 TGFBR1 (0.41) NPC1RAB9APKMMAT2ANR1I2
SCHEMBL16184370 0.89 MAP4K4 (0.45) NPC1RAB9APKMMAT2ALATS1
SCHEMBL16184382 0.89 MAT2A (0.39) NPC1RAB9APKMMAT2ANR1I2
SCHEMBL16184378 0.88 GRM5 (0.35) NPC1RAB9APKMMAT2ALATS1
SCHEMBL16184368 0.86 GRM5 (0.38) NPC1RAB9AMAT2ALATS1LATS2
SCHEMBL16184376 0.86 CYP2C19 (0.41) LATS1LATS2CYP1A2CYP3A4CYP2D6

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 1340/4885PKM 2633/4885

“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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