SCHEMBL10100544

SCHEMBL10100544

CS(=O)(=O)N1CCN(c2cnc3c(N4CCOCC4)nc(-c4cccc5[nH]ncc45)cn23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.70
PIK3R1 P27986 16/20 0.70
PIK3CD O00329 10/20 0.70
KCNH2 Q12809 2/20 0.68
PIK3CB P42338 3/20 0.53
PIK3C2A O00443 1/20 0.52
PLK4 O00444 1/20 0.52
PIK3R2 O00459 1/20 0.52
PIK3C2B O00750 1/20 0.52
GAK O14976 1/20 0.52
EPHB6 O15197 1/20 0.52
DAPK3 O43293 1/20 0.52
STK16 O75716 1/20 0.52
PIK3C2G O75747 1/20 0.52
NTRK1 P04629 1/20 0.52
NQO2 P16083 1/20 0.52
CSNK2A2 P19784 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
AKT1 P31749 1/20 0.52

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
SCHEMBL892766 0.89 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL632246 0.86 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL20458878 0.85 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL893110 0.85 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL15602988 0.84 PIK3CA (0.57) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL15603028 0.83 PIK3CA (1.00) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL16881775 0.82 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL10092217 0.81 PIK3R1 (1.00) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL14725944 0.81 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB
SCHEMBL15603122 0.80 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDKCNH2PIK3CB

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
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
WO-2012052730-A1 USE OF PI3K INIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 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-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA PIK3CA 2/4885PIK3R1 6/4885PIK3CD 11/4885

“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.