SCHEMBL9904995

SCHEMBL9904995

Cn1c(=O)n(-c2ccc(Cl)nc2C(F)(F)F)c2c3cc(-c4cccnc4)ccc3ncc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 6/20 0.52
ATR Q13535 4/20 0.52
KCNH2 Q12809 1/20 0.52
PIK3CD O00329 10/20 0.49
MTOR P42345 12/20 0.49
PIK3CA P42336 10/20 0.49
PIK3CB P42338 8/20 0.49
PIK3CG P48736 8/20 0.49
PIK3C3 Q8NEB9 2/20 0.46
CSNK2A2 P19784 1/20 0.46
FECH P22830 1/20 0.46
CLK1 P49759 1/20 0.46
GSK3A P49840 1/20 0.46
DYRK1A Q13627 1/20 0.46
MELK Q14680 1/20 0.46
MYLK3 Q32MK0 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.46
TP53RK Q96S44 1/20 0.46
AKT1 P31749 1/20 0.43
RPTOR Q8N122 2/20 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
SCHEMBL9905459 0.88 ATM (0.56) ATMATRKCNH2PIK3CDMTOR
SCHEMBL9905296 0.85 MTOR (0.56) ATMATRKCNH2PIK3CDMTOR
SCHEMBL927599 0.84 ATM (0.55) ATMATRKCNH2PIK3CDMTOR
SCHEMBL927258 0.83 ATM (0.54) ATMATRKCNH2PIK3CDMTOR
SCHEMBL927875 0.83 ATM (0.58) ATMATRKCNH2PIK3CDMTOR
SCHEMBL9905433 0.82 MTOR (0.61) ATMATRKCNH2PIK3CDMTOR
SCHEMBL12764601 0.80 ATM (0.55) ATMATRKCNH2PIK3CDMTOR
SCHEMBL927889 0.80 ATM (0.58) ATMATRKCNH2PIK3CDMTOR
SCHEMBL31439384 0.80 MTOR (0.56) ATMATRKCNH2PIK3CDMTOR
SCHEMBL928971 0.80 MTOR (0.56) ATMATRKCNH2PIK3CDMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310374-A1 Substituted Imidazoquinoline Derivatives PIRAMAL ENTERPRISES LIMITED` (IN) 2013-11-21 US claimed
EP-2648733-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES Piramal Enterprises Limited (IN) 2013-10-16 EP claimed
WO-2012077031-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-06-14 WO claimed
US-20130310374-A1 Substituted Imidazoquinoline Derivatives PIRAMAL ENTERPRISES LIMITED` (IN) 2013-11-21 US disclosed
EP-2648733-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES Piramal Enterprises Limited (IN) 2013-10-16 EP disclosed
WO-2012077031-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-06-14 WO 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-20130310374-A1 Substituted Imidazoquinoline Derivatives FLT4, CDK4, CDK2 ATM 862/4885ATR 619/4885KCNH2 2763/4885

“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.