SCHEMBL16184268

SCHEMBL16184268

CNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(Cl)c(Cl)c3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ADORA2A P29274 1/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ NPY5R Q15761 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ EIF4E P06730 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDE5A O76074 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL16184389 0.89 CYP3A4 (0.48) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184265 0.88 CYP1A2 (0.50) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184266 0.88 CYP1A2 (0.52) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184270 0.87 CYP3A4 (0.51) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184271 0.87 CYP1A2 (0.48) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16183610 0.86 CYP1A2 (0.54) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14475094 0.86 CYP1A2 (0.63) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184269 0.85 CYP1A2 (0.49) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14474641 0.85 CYP1A2 (0.49) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16184267 0.85 CYP1A2 (0.54) CLK4CYP1A2CYP3A4CYP2D6CYP2C19

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 CLK4 1084/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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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