SCHEMBL3984073

SCHEMBL3984073

Oc1cccc(-c2nc(N3CCOCC3)c3cnn(CC(F)(F)F)c3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.62
MTOR P42345 16/20 0.62
PIK3CG P48736 6/20 0.61
PIK3CD O00329 2/20 0.55
PIK3R1 P27986 1/20 0.51
HDAC1 Q13547 1/20 0.51
PIK3C2B O00750 1/20 0.49
CCNE2 O96020 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
KDR P35968 1/20 0.49
PIK3CB P42338 1/20 0.49

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
SCHEMBL3986221 0.82 MTOR (0.68) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL12684765 0.82 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL4991670 0.79 PIK3CA (0.78) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL14071928 0.78 MTOR (0.84) PIK3CAMTORPIK3CDHDAC1
SCHEMBL14082562 0.78 MTOR (0.81) PIK3CAMTORPIK3CDHDAC1
SCHEMBL4991661 0.77 PIK3CA (0.83) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3991670 0.77 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3983421 0.76 PIK3CA (0.73) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3989353 0.76 MTOR (0.55) PIK3CAMTORPIK3CDHDAC1
SCHEMBL3988432 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP claimed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO claimed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US claimed
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 1/4885PIK3CG 16/4885

“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.