SCHEMBL16184039

SCHEMBL16184039

CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3ccccc3C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.47
▸ CYP2D6 P10635 7/20 0.47
▸ CYP2C19 P33261 7/20 0.47
▸ CYP3A4 P08684 7/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ RECQL P46063 2/20 0.44
▸ ABCB1 P08183 4/20 0.43
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ USP1 O94782 2/20 0.42
▸ WDR48 Q8TAF3 2/20 0.42
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 4/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ USP2 O75604 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALOX15 P16050 2/20 0.41

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
SCHEMBL16184447 0.90 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16183508 0.88 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16184040 0.88 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16183565 0.87 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16183772 0.86 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16183619 0.85 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16184436 0.85 HSD17B10 (0.43) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16184043 0.85 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16184031 0.85 CYP3A4 (0.47) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10
SCHEMBL16184433 0.84 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19CYP3A4HSD17B10

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 2971/4885CYP2D6 4357/4885CYP2C19 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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