SCHEMBL2193604

SCHEMBL2193604

CN1CCN(Cc2ccc(-c3nc(-c4cccc5[nH]ncc45)nc4c3cnn4C)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.65
TNIK Q9UKE5 3/20 0.43
MAP3K11 Q16584 1/20 0.43
KDR P35968 1/20 0.43
PIK3CD O00329 2/20 0.41
BRAF P15056 1/20 0.40
DDR2 Q16832 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
PARP1 P09874 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39

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
SCHEMBL2195164 0.90 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2193589 0.81 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2191633 0.81 PIK3CA (0.72) PIK3CAPIK3CDBRAFPIK3CBPIK3CG
SCHEMBL2191566 0.80 PIK3CA (0.68) PIK3CAPIK3CDBRAFPIK3CBPIK3CG
SCHEMBL2193323 0.79 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL13748306 0.79 PIK3CA (0.45) PIK3CATNIKKDRAXLFLT3
SCHEMBL2194222 0.79 PIK3CA (1.00) PIK3CAPIK3CDBRAFPIK3CBPIK3CG
SCHEMBL2192025 0.78 PIK3CA (0.71) PIK3CAPIK3CDBRAFPIK3CBPIK3CG
SCHEMBL2192699 0.77 PIK3CA (0.72) PIK3CAKDRPIK3CDPIK3CBPIK3CG
SCHEMBL2194421 0.77 PIK3CA (0.61) PIK3CAPIK3CDBRAFPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US claimed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP claimed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US claimed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 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-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA PIK3CA 1/4885TNIK 244/4885MAP3K11 54/4885

“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.