SCHEMBL3514992

SCHEMBL3514992

Cc1nc(C(F)(F)F)ccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.43
PIK3CA P42336 8/20 0.43
PIK3CD O00329 7/20 0.43
PIK3CG P48736 7/20 0.43
PIK3CB P42338 6/20 0.43
PRKDC P78527 4/20 0.43
PIK3C3 Q8NEB9 2/20 0.41
CSNK2A2 P19784 1/20 0.41
FECH P22830 1/20 0.41
CLK1 P49759 1/20 0.41
GSK3A P49840 1/20 0.41
DYRK1A Q13627 1/20 0.41
MELK Q14680 1/20 0.41
MYLK3 Q32MK0 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
TP53RK Q96S44 1/20 0.41
CASP3 P42574 1/20 0.38
RPTOR Q8N122 2/20 0.38
MLST8 Q9BVC4 2/20 0.38
ATM Q13315 7/20 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
SCHEMBL3514851 0.89 PIK3CA (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7878794 0.88 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3513991 0.87 PIK3CA (0.45) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3514345 0.86 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL31439293 0.84 MTOR (0.49) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14872784 0.83 PIK3CA (0.49) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3515130 0.83 MTOR (0.46) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3514240 0.83 PIK3CA (0.44) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL2067585 0.81 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14872973 0.81 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013053273-A1 IMIDAZO QUINOLINE DERIVATIVE AND MEDICINAL SALT THEREOF, PREPARATION METHOD THEREOF AND USE IN MEDICINE THEREOF 上海恒瑞医药有限公司 (CN) 2013-04-18 WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 MTOR 326/4885PIK3CA 83/4885PIK3CD 72/4885

“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.