SCHEMBL5655178

SCHEMBL5655178

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(C#Cc4cccnc4)ccc3ncc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 1.00
PIK3CD O00329 10/20 1.00
PIK3CG P48736 9/20 1.00
PIK3CB P42338 8/20 1.00
AKT1 P31749 6/20 1.00
MTOR P42345 13/20 0.67
PIK3C2A O00443 2/20 0.63
PIK3C2B O00750 2/20 0.63
PRKDC P78527 2/20 0.63
ATM Q13315 2/20 0.63
CHEK1 O14757 1/20 0.63
ABCB11 O95342 1/20 0.63
CSF1R P07333 1/20 0.63
MET P08581 1/20 0.63
PIK3R1 P27986 1/20 0.63
LTK P29376 1/20 0.63
CDK7 P50613 1/20 0.63
NEK2 P51955 1/20 0.63
JAK3 P52333 1/20 0.63
LIMK1 P53667 1/20 0.63

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
SCHEMBL29703086 1.00 PIK3CA (1.00) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL930563 0.86 PIK3CA (0.76) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL5614520 0.86 PIK3CA (0.75) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL5615219 0.84 PIK3CD (0.73) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL5614860 0.84 PIK3CA (0.73) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL5614652 0.84 PIK3CA (0.73) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL5614853 0.84 AKT1 (0.73) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL5653651 0.83 PIK3CA (0.72) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL15747853 0.83 MTOR (0.72) PIK3CAPIK3CDPIK3CGPIK3CBAKT1
SCHEMBL15747737 0.83 MTOR (0.72) PIK3CAPIK3CDPIK3CGPIK3CBAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013029116-A1 METHOD FOR PREDICTING TREATMENT RESPONSIVENESS MONASH UNIVERSITY (AU) 2013-03-07 WO claimed
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US claimed
JP-2007511576-A 2007-05-10 JP claimed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP claimed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO claimed
US-10835524-B2 Compositions for the treatment of pancreatic cancer and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-11-17 US disclosed
US-20180177776-A1 COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INCORPORATED (US) 2018-06-28 US disclosed
WO-2016209688-A1 COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-29 WO disclosed
WO-2013082660-A1 PREDICTION METHOD ALFRED HEALTH (AU) 2013-06-13 WO disclosed
WO-2013029116-A1 METHOD FOR PREDICTING TREATMENT RESPONSIVENESS MONASH UNIVERSITY (AU) 2013-03-07 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 (3 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-10835524-B2 Compositions for the treatment of pancreatic cancer and uses thereof PIK3CA, MTOR, PIK3CD PIK3CA 1/4885PIK3CD 3/4885PIK3CG 5/4885
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ PIK3CA 466/4885PIK3CD 304/4885PIK3CG 366/4885
US-20180177776-A1 COMPOSITIONS FOR THE TREATMENT OF CANCER AND USES THEREOF PIK3CA, MTOR, PIK3CD PIK3CA 1/4885PIK3CD 3/4885PIK3CG 4/4885

“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.