SCHEMBL2237778

SCHEMBL2237778

Oc1cccc(CNc2cc(-c3cncc(-c4cccc(N5CCCC5)c4)c3)nc(-c3ccccn3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.44
PIK3CB P42338 4/20 0.43
PIK3CG P48736 4/20 0.43
HDAC1 Q13547 5/20 0.41
MAP4K4 O95819 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HIF1A Q16665 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
PPP1CA P62136 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 1/20 0.37
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37

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 0.93 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGHDAC1
SCHEMBL2240144 0.92 PPP1CA (0.44) HDAC1MAP4K4HDAC6HIF1AHTR1A
SCHEMBL2235916 0.92 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGHDAC1HDAC6
SCHEMBL2237339 0.89 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGHDAC1HIF1A
SCHEMBL2241298 0.89 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGMAP4K4SMN1; SMN2
SCHEMBL11968299 0.88 HDAC1 (0.42) PIK3CAPIK3CBPIK3CGHDAC1HDAC6
SCHEMBL2238746 0.86 PIK3CA (0.53) PIK3CAPIK3CBPIK3CG
SCHEMBL2305053 0.85 HRH4 (0.44) PIK3CAPIK3CBPIK3CGHDAC1SMN1; SMN2
SCHEMBL2237808 0.85 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGHDAC1PPP1CA
SCHEMBL2239595 0.83 PIK3CA (0.50) PIK3CAPIK3CBPIK3CGHIF1A

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 10 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
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO 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.