SCHEMBL3984045

SCHEMBL3984045

C[C@H]1COCCN1c1nc(-c2cccc(O)c2)nc2c1cnn2-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.61
PIK3CA P42336 15/20 0.61
PIK3CD O00329 3/20 0.53
CHEK1 O14757 1/20 0.51
ATR Q13535 1/20 0.51
PDCD1 Q15116 1/20 0.51
ATRIP Q8WXE1 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
PIK3CG P48736 2/20 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
SCHEMBL4270408 1.00 MTOR (0.61) MTORPIK3CAPIK3CDCHEK1ATR
SCHEMBL3984055 1.00 MTOR (0.61) MTORPIK3CAPIK3CDCHEK1ATR
SCHEMBL27773619 0.87 PIK3CA (0.58) MTORPIK3CAPIK3CDCHEK1ATR
SCHEMBL4991670 0.84 PIK3CA (0.78) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL3983421 0.81 PIK3CA (0.73) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL3994146 0.80 PIK3CA (0.59) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL56413 0.80 PIK3CA (0.65) MTORPIK3CAPIK3CG
SCHEMBL3986335 0.80 PIK3CA (0.59) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL54828 0.79 PIK3CA (0.57) MTORPIK3CAPIK3CG
SCHEMBL3985124 0.79 PIK3CA (0.60) MTORPIK3CAPIK3CG

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
CN-101675051-A Pyrazolopyrimidine analogs and their use as mtor kinase and pi3 kinase inhibitors WYETH CORP 2010-03-17 CN disclosed
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

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 MTOR 1/4885PIK3CA 2/4885PIK3CD 7/4885

“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.