SCHEMBL2235626

SCHEMBL2235626

O=C(CCNc1cc(-c2cccnc2)nc(-c2ccccn2)n1)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.48
KDM6A O15550 5/20 0.48
KDM6B O15054 4/20 0.48
KDM5B Q9UGL1 4/20 0.48
KDM2B Q8NHM5 4/20 0.48
KDM4C Q9H3R0 3/20 0.48
PHF8 Q9UPP1 3/20 0.48
KDM5C P41229 3/20 0.48
KDM5A P29375 3/20 0.48
CHRNA1 P02708 2/20 0.48
MAOB P27338 2/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
PDE4B Q07343 2/20 0.48
SCN5A Q14524 2/20 0.48
KDM4A O75164 2/20 0.48
KDM4B O94953 2/20 0.48
KDM3A Q9Y4C1 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL4773130 0.85 HDAC1 (0.45) HDAC1KDM6AKDM6BKDM5BKDM2B
SCHEMBL4775872 0.85 KDM6A (0.47) HDAC1KDM6AKDM6BKDM5BKDM2B
SCHEMBL4777383 0.83 METAP1 (0.47) HDAC1HDAC6
SCHEMBL4775879 0.82 KDM6A (0.44) HDAC1KDM6AKDM6BKDM5BKDM2B
SCHEMBL4774925 0.78 HDAC1 (0.40) HDAC1KDM6AKDM6BKDM5BKDM2B
SCHEMBL4769045 0.78 HDAC1 (0.48) HDAC1KDM6AKDM6BKDM5BKDM2B
SCHEMBL4775851 0.77 PIM1 (0.45) HDAC1KDM6AKDM6BKDM5BKDM2B
SCHEMBL3968244 0.76 MKNK1 (0.40) HDAC1MKNK1MKNK2
SCHEMBL4774987 0.76 ADORA2A (0.46) HDAC1KDM6AKDM6BKDM5BKDM2B
SCHEMBL25319001 0.76 HDAC1 (0.61) HDAC1KDM6AKDM6BKDM5BKDM2B

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 7 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-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-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 HDAC1 3371/4885KDM6A 627/4885KDM6B 325/4885

“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.