SCHEMBL16183441

SCHEMBL16183441

CNc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(OCC(=O)N(C)C)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PDE5A O76074 6/20 0.46
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ABCG2 Q9UNQ0 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
UBE2N P61088 1/20 0.42

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
SCHEMBL16183447 0.93 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL14474061 0.91 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL16183440 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL16183449 0.85 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL16183439 0.84 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL16183444 0.83 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL14474122 0.83 ABCG2 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL14727798 0.82 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL14474121 0.82 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL14475130 0.82 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10

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.