SCHEMBL9971309

SCHEMBL9971309

CCCc1ccc2ncncc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.51
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
FGFR4 P22455 1/20 0.41
AR P10275 1/20 0.40
MET P08581 1/20 0.40
ALOX5 P09917 1/20 0.40
NAMPT P43490 1/20 0.38
BRAF P15056 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TDO2 P48775 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL3397485 0.89 EGFR (0.47) EGFRPIK3CDPIK3CATRPV1
SCHEMBL18713976 0.87 PIK3CA (0.54) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL7117073 0.87 TLR8 (0.48) EGFRTRPV1
SCHEMBL9971269 0.86 EGFR (0.51) EGFRCNR1CNR2TDO2TRPV1
SCHEMBL9776814 0.86 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL30918007 0.86 EGFR (0.55) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL19338494 0.83 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL27314267 0.83 EGFR (0.51) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL9968621 0.81 EGFR (0.54) EGFRPIK3CDPIK3CAFGFR4AR
SCHEMBL30406139 0.81 EGFR (0.54) EGFRPIK3CDPIK3CAFGFR4AR

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
CN-104803927-B Chalcone analog of the base containing 2 methyl, 4 oxoquinazolin 6 and its production and use 首都师范大学 2017-11-07 CN disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 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-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 EGFR 4771/4885PIK3CD 432/4885PIK3CA 746/4885

“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.