SCHEMBL2239612

SCHEMBL2239612

CNc1cc(-c2cncc(-c3cccc(CN4CCOCC4)c3)c2)nc(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
PIK3CD O00329 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
KIT P10721 1/20 0.41
ACVR1 Q04771 1/20 0.41
TGFBR1 P36897 2/20 0.40
HIF1A Q16665 2/20 0.40
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CNR2 P34972 2/20 0.39
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
CNR1 P21554 1/20 0.39
SYK P43405 1/20 0.39
CHEK1 O14757 1/20 0.39
PSMB8 P28062 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL2238208 0.92 KDR (0.41) GSK3BDYRK1AKITTGFBR1HIF1A
SCHEMBL2237284 0.91 TGFBR1 (0.47) GSK3BDYRK1AKITTGFBR1HIF1A
SCHEMBL2307480 0.89 PIK3CD (0.42) LRRK2PIK3CDGSK3BDYRK1AKIT
SCHEMBL2239595 0.86 PIK3CA (0.50) GSK3BDYRK1AHIF1APIK3CAKDR
SCHEMBL2240016 0.85 PIK3CA (0.46) TGFBR1PIK3CAKDM4ECHEK1
SCHEMBL2241844 0.83 TGFBR1 (0.45) DYRK1AKITTGFBR1HIF1AKDM4E
SCHEMBL2243570 0.82 FLT3 (0.52) LRRK2PIK3CDKITACVR1TGFBR1
SCHEMBL2241140 0.82 NPSR1 (0.44) TGFBR1PIK3CAKDM4EKDRCHEK1
SCHEMBL2305188 0.81 TNIK (0.44) KITHIF1AKDM4EDRD2DRD4
SCHEMBL3663103 0.80 TGFBR1 (0.51) LRRK2GSK3BDYRK1ATGFBR1KDR

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 LRRK2 1753/4885PIK3CD 559/4885GSK3B 2623/4885

“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.