SCHEMBL16184372

SCHEMBL16184372

CNc1nc(-c2cnccn2)nc2c(F)cc(-c3ccccc3Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ CYP2C19 P33261 5/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALOX5AP P20292 3/20 0.39
▸ FEN1 P39748 3/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ MAT2A P31153 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TSHR P16473 2/20 0.35

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
SCHEMBL16184379 0.92 NPC1 (0.36) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184362 0.91 FEN1 (0.42) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184374 0.90 NPC1 (0.44) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184380 0.89 ALOX5AP (0.36) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184381 0.89 NPC1 (0.51) ALOX5APFEN1NPC1RAB9AMAT2A
SCHEMBL16184201 0.87 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184375 0.87 TGFBR1 (0.41) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184366 0.87 ALOX5AP (0.38) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184382 0.86 MAT2A (0.39) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL16184373 0.85 NPC1 (0.36) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6

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 CYP1A2 2971/4885CYP3A4 4456/4885CYP2C19 3815/4885

“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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