SCHEMBL2238047

SCHEMBL2238047

c1ccc(-c2nc(NCCc3cccc4c3OCC4)cc(-c3cccnc3)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 4/20 0.41
KDM5B Q9UGL1 4/20 0.41
KDM2B Q8NHM5 4/20 0.41
KDM4C Q9H3R0 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM6A O15550 3/20 0.41
KDM5C P41229 3/20 0.41
CHRNA1 P02708 2/20 0.41
MAOB P27338 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
PDE4B Q07343 2/20 0.41
SCN5A Q14524 2/20 0.41
KDM4A O75164 2/20 0.41
KDM4B O94953 2/20 0.41
KDM3A Q9Y4C1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOA P21397 1/20 0.41
KDM5A P29375 1/20 0.41
KCNH2 Q12809 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
SCHEMBL2237295 0.80 CYP2A6 (0.45) KDM6BKDM5BKDM2BKDM4CPHF8
SCHEMBL4771450 0.79 NPC1 (0.52) KDM4ECYP3A4CYP2C9HDAC1NPC1
SCHEMBL2240945 0.78 GBA1 (0.54) PIK3CAPIK3CBPIK3CGPTGDRCYP3A4
SCHEMBL2238098 0.78 PTGDR (0.53) KDM4EPIK3CAPIK3CBPIK3CGPTGDR
SCHEMBL2241460 0.77 CDK4 (0.47) PTGDRCYP3A4CYP2C9NPC1TP53
SCHEMBL2243750 0.76 PTGDR (0.41) KDM4CPTGDRCYP3A4CYP2C9NPC1
SCHEMBL2237320 0.76 HIF1A (0.47) KDM6BKDM5BKDM2BKDM4CPHF8
SCHEMBL4773623 0.75 CYP3A4 (0.48) PIK3CAPIK3CBPIK3CGPTGDRCYP3A4
SCHEMBL3962080 0.75 CDK4 (0.58) PTGDRCYP3A4CYP2C9HDAC1NPC1
SCHEMBL2242475 0.75 PTGDR (0.54) KDM4EPIK3CAPIK3CBPIK3CGPTGDR

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
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
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP 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 KDM6B 325/4885KDM5B 145/4885KDM2B 513/4885

“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.