SCHEMBL2237808

SCHEMBL2237808

c1ccc(CNc2cc(-c3cncc(-c4cccc(N5CCOCC5)c4)c3)nc(-c3ccccn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.47
PIK3CB P42338 10/20 0.46
PIK3CG P48736 3/20 0.46
ACHE P22303 1/20 0.45
PLK4 O00444 2/20 0.44
PKM P14618 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
PPP1CA P62136 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
METAP1 P53582 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 0.93 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGKDM1AHDAC1
SCHEMBL2240144 0.92 PPP1CA (0.44) ACHEHDAC1PPP1CASMN1; SMN2L3MBTL1
SCHEMBL2240016 0.87 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGALOX15MAPK1
SCHEMBL2240450 0.86 PLK4 (0.49) PIK3CAPIK3CBPIK3CGPLK4PPP1CA
SCHEMBL2238746 0.86 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGPLK4
SCHEMBL2237778 0.85 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGHDAC1PPP1CA
SCHEMBL2241125 0.83 HRH4 (0.53) ACHEPPP1CASMN1; SMN2L3MBTL1HRH1
SCHEMBL2239595 0.81 PIK3CA (0.50) PIK3CAPIK3CBPIK3CG
SCHEMBL11968299 0.81 HDAC1 (0.42) PIK3CAPIK3CBPIK3CGACHEHDAC1
SCHEMBL2238220 0.81 HRH4 (0.44) ACHEPKML3MBTL1HRH1HRH4

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.