SCHEMBL2238746

SCHEMBL2238746

Oc1cccc(CNc2cc(-c3cncc(-c4ccc(N5CCOCC5)cc4)c3)nc(-c3ccccn3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.53
PIK3CB P42338 9/20 0.52
PIK3CG P48736 8/20 0.52
STAT6 P42226 1/20 0.45
FYN P06241 1/20 0.42
PLK4 O00444 1/20 0.41

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
SCHEMBL2237213 0.94 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGSTAT6
SCHEMBL2235916 0.93 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGSTAT6
SCHEMBL2305053 0.91 HRH4 (0.44) PIK3CAPIK3CBPIK3CGFYN
SCHEMBL2241522 0.89 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGPLK4
SCHEMBL2239595 0.87 PIK3CA (0.50) PIK3CAPIK3CBPIK3CG
SCHEMBL2237778 0.86 PIK3CA (0.44) PIK3CAPIK3CBPIK3CG
SCHEMBL2237808 0.86 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGPLK4
SCHEMBL2237617 0.83 CFTR (0.41) PIK3CA
SCHEMBL2241125 0.82 HRH4 (0.53) FYN
SCHEMBL2241140 0.82 NPSR1 (0.44) PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP claimed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US claimed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP claimed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO claimed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK PIK3CA 222/4885PIK3CB 536/4885PIK3CG 578/4885

“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.