Sugi Predict

Sugi Predict / Compounds / SCHEMBL368177

SCHEMBL368177

SCHEMBL368177

Cn1c(=NC#N)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 17/20 0.77
▸ PIK3CA P42336 14/20 0.77
▸ PIK3CD O00329 8/20 0.77
▸ PIK3CG P48736 5/20 0.77
▸ PIK3CB P42338 4/20 0.77
▸ PRKDC P78527 3/20 0.77
▸ ATM Q13315 3/20 0.77
▸ PIK3C2A O00443 2/20 0.77
▸ PIK3C2B O00750 2/20 0.77
▸ ATR Q13535 2/20 0.77
▸ CHEK1 O14757 1/20 0.77
▸ ABCB11 O95342 1/20 0.77
▸ CSF1R P07333 1/20 0.77
▸ MET P08581 1/20 0.77
▸ PIK3R1 P27986 1/20 0.77
▸ LTK P29376 1/20 0.77
▸ CDK7 P50613 1/20 0.77
▸ NEK2 P51955 1/20 0.77
▸ JAK3 P52333 1/20 0.77
▸ LIMK1 P53667 1/20 0.77

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
SCHEMBL368176 1.00 MTOR (0.77) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL927324 0.88 MTOR (0.82) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL30186162 0.87 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL2424463 0.87 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL29370906 0.87 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Dactolisib SCHEMBL143623 0.87 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14915234 0.87 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL367949 0.87 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14914704 0.85 MTOR (0.57) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL14914705 0.85 MTOR (0.57) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593450-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-22 — — EP claimed
US-20130116248-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Piramal Enterprises Limited (IN) 2013-05-09 — — US claimed
WO-2012007926-A1 SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-01-19 — — WO 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 MTOR 102/4885PIK3CA 72/4885PIK3CD 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.