SCHEMBL16183452

SCHEMBL16183452

CN(C)c1nc(-c2cccnc2)nc2ccc(-c3cccc(O)c3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 3/20 0.64
CYP2C9 P11712 3/20 0.64
CLK4 Q9HAZ1 2/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GLA P06280 1/20 0.64
TSHR P16473 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
GBA1 P04062 14/20 0.49
HSD17B1 P14061 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B2 P37059 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
LATS1 O95835 1/20 0.46

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
SCHEMBL15977155 0.90 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
Hydrochloric Acid SCHEMBL15966750 0.89 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL14475167 0.86 MEN1 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL14475208 0.86 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL14475229 0.86 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL14474975 0.85 MEN1 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL14475090 0.85 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL14475027 0.85 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL27904611 0.84 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL14475059 0.84 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CLK4

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 4456/4885CYP2D6 4357/4885

“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.