SCHEMBL3991978

SCHEMBL3991978

c1cc2cc(-c3nc(N4CCOCC4)c4cn[nH]c4n3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.61
MTOR P42345 10/20 0.61
PIK3CG P48736 2/20 0.53
SGK1 O00141 2/20 0.52
SYK P43405 2/20 0.52
BTK Q06187 1/20 0.52
AURKB Q96GD4 1/20 0.51
PIK3CD O00329 1/20 0.50
CYP2C9 P11712 1/20 0.49
ATR Q13535 1/20 0.49
GRIA1 P42261 1/20 0.48
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
PRKDC P78527 1/20 0.46

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
SCHEMBL3989077 0.80 SGK1 (0.57) PIK3CAMTORPIK3CGSGK1SYK
SCHEMBL4556151 0.80 PIK3CA (0.60) PIK3CAMTORPIK3CGAURKBPIK3CD
SCHEMBL3991785 0.78 PIK3CA (0.71) PIK3CAMTORPIK3CGPIK3CDPRKDC
SCHEMBL1311008 0.77 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CDCYP2C9
SCHEMBL4995644 0.77 PIK3CA (0.85) PIK3CAMTORPIK3CGAURKB
SCHEMBL1311087 0.77 PIK3CA (0.59) PIK3CAMTORPIK3CGAURKBPIK3CD
SCHEMBL4995646 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CGAURKBGRIA1
SCHEMBL13828581 0.76 PIK3CA (0.56) PIK3CAMTORPIK3CGAURKBCYP2C9
SCHEMBL3988835 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CGAURKB
SCHEMBL3993271 0.76 PIK3CA (0.84) PIK3CAMTORPIK3CGAURKB

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 4 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
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.