Sugi Predict

Sugi Predict / Compounds / SCHEMBL9905258

SCHEMBL9905258

SCHEMBL9905258

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)nc2)c2c3cc(-c4cc(C(F)(F)F)ccc4F)ccc3ncc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 17/20 0.58
▸ MTOR P42345 14/20 0.58
▸ PIK3CD O00329 9/20 0.58
▸ PIK3CG P48736 9/20 0.58
▸ PIK3CB P42338 8/20 0.58
▸ PRKDC P78527 3/20 0.57
▸ PIK3C2A O00443 2/20 0.57
▸ PIK3C2B O00750 2/20 0.57
▸ ATM Q13315 2/20 0.57
▸ PIK3C3 Q8NEB9 2/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ CSF1R P07333 1/20 0.57
▸ MET P08581 1/20 0.57
▸ PIK3R1 P27986 1/20 0.57
▸ LTK P29376 1/20 0.57
▸ CDK7 P50613 1/20 0.57
▸ NEK2 P51955 1/20 0.57
▸ JAK3 P52333 1/20 0.57
▸ LIMK1 P53667 1/20 0.57

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
SCHEMBL15388176 0.86 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL9905218 0.85 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL9905280 0.84 MTOR (0.57) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL9905170 0.82 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL9905243 0.82 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL9901753 0.81 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL15133603 0.81 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL9905334 0.81 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Hydrochloric Acid SCHEMBL9905231 0.81 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL367532 0.80 PIK3CA (0.53) 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 8 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
CN-103402520-A Substituted imidazoquinoline derivatives PIRAMAL LIFE SCIENCES LTD 2013-11-20 — — CN 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
CN-103402520-A Substituted imidazoquinoline derivatives PIRAMAL LIFE SCIENCES LTD 2013-11-20 — — CN 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.