SCHEMBL16186309

SCHEMBL16186309

CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(C(=O)Nc4nncs4)c3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP4 P55087 1/20 0.53
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.47
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CDK7 P50613 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 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
SCHEMBL14359005 0.87 SIRT2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16186400 0.86 CYP1A2 (0.43) AQP4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16186402 0.85 AQP4 (0.48) AQP4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16184424 0.83 HSD17B10 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14358800 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14358734 0.82 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14474608 0.81 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14475895 0.80 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14358462 0.80 ABCG2 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14475902 0.78 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 1 patent. 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

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 AQP4 1628/4885CYP1A2 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.