SCHEMBL9905281

SCHEMBL9905281

Cn1c(=O)n(-c2ccc(C(F)(F)F)nc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.52
MTOR P42345 12/20 0.52
PIK3CD O00329 7/20 0.52
PIK3CB P42338 6/20 0.52
PIK3CG P48736 6/20 0.52
PIK3C3 Q8NEB9 2/20 0.52
CSNK2A2 P19784 1/20 0.52
FECH P22830 1/20 0.52
CLK1 P49759 1/20 0.52
GSK3A P49840 1/20 0.52
DYRK1A Q13627 1/20 0.52
MELK Q14680 1/20 0.52
MYLK3 Q32MK0 1/20 0.52
PIP4K2C Q8TBX8 1/20 0.52
TP53RK Q96S44 1/20 0.52
ATM Q13315 4/20 0.50
ATR Q13535 3/20 0.50
PIK3C2A O00443 2/20 0.50
PIK3C2B O00750 2/20 0.50
RPTOR Q8N122 2/20 0.50

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
SCHEMBL9905117 0.95 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9905112 0.95 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9901753 0.91 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL9905231 0.90 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL15388265 0.90 MTOR (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9905279 0.89 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9905060 0.89 MTOR (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9905824 0.89 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9905422 0.88 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9905167 0.88 MTOR (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 4 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
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 PIK3CA 154/4885MTOR 220/4885PIK3CD 262/4885

“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.