SCHEMBL369057

SCHEMBL369057

Cn1/c(=N/C#N)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
MTOR P42345 15/20 0.56
PIK3CD O00329 8/20 0.56
PIK3CG P48736 6/20 0.56
PIK3CB P42338 5/20 0.56
PRKDC P78527 3/20 0.56
ATM Q13315 3/20 0.56
ATR Q13535 2/20 0.56
PIK3C2A O00443 2/20 0.56
PIK3C2B O00750 2/20 0.56
PIK3C3 Q8NEB9 2/20 0.56
RPTOR Q8N122 2/20 0.56
MLST8 Q9BVC4 2/20 0.56
CHEK1 O14757 1/20 0.56
ABCB11 O95342 1/20 0.56
CSF1R P07333 1/20 0.56
MET P08581 1/20 0.56
PIK3R1 P27986 1/20 0.56
LTK P29376 1/20 0.56
CDK7 P50613 1/20 0.56

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
SCHEMBL369058 1.00 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Panulisib SCHEMBL16714451 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Panulisib SCHEMBL30157179 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Panulisib SCHEMBL367230 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Panulisib SCHEMBL29397330 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Panulisib SCHEMBL29368897 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Panulisib SCHEMBL367229 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL368963 0.89 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL367561 0.89 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL367562 0.89 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-09 US claimed
US-9062046-B2 Substituted imidazoquinoline derivatives as kinase inhibitors Piramal Enterprises Limited (IN) 2015-06-23 US disclosed
EP-2593450-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-22 EP disclosed
US-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-09 US disclosed
WO-2012007926-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-01-19 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-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS CDK2, CDK4, MAP3K1 PIK3CA 72/4885MTOR 102/4885PIK3CD 115/4885

“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.