SCHEMBL12543780

SCHEMBL12543780

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccn(CC2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.59
PIK3CB P42338 8/20 0.59
GSK3B P49841 8/20 0.59
PIM1 P11309 7/20 0.59
PIK3CG P48736 7/20 0.59
PIK3CA P42336 7/20 0.59
CDC7 O00311 2/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
CDK1 P06493 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
CLK2 P49760 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CDK5 Q00535 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL2215452 0.85 PIK3CD (0.68) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL2214448 0.84 PIK3CD (0.67) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL12542677 0.84 PIK3CD (0.60) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL1961447 0.82 PIK3CD (0.68) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL1959727 0.82 PIK3CD (0.64) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL1958477 0.81 PIK3CD (0.64) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL2212954 0.81 PIK3CD (0.71) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL456977 0.79 PIK3CD (0.64) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL1780205 0.79 PIK3CD (0.64) PIK3CDPIK3CBGSK3BPIM1PIK3CG
SCHEMBL2214497 0.79 PIK3CD (0.61) PIK3CDPIK3CBGSK3BPIM1PIK3CG

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-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US claimed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 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-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3C3, PIK3CA, PIK3CD PIK3CD 3/4885PIK3CB 5/4885GSK3B 67/4885

“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.