SCHEMBL4568607

SCHEMBL4568607

[C-]#[N+]c1ccc(Nc2nccc(Oc3cccc4cccnc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PTK2 Q05397 1/20 0.43
PLK4 O00444 1/20 0.38
KDR P35968 5/20 0.38
MET P08581 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HSP90AA1 P07900 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
MAP3K7 O43318 1/20 0.36
MAP2K1 Q02750 1/20 0.36
IGF1R P08069 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4568608 0.85 KDM4E (0.43) KDM4EPTK2CA12CA1CA2
SCHEMBL4568612 0.85 KDM4E (0.43) KDM4ECA12CA1CA2CA9
SCHEMBL4568606 0.83 KDM4E (0.42) KDM4ECA12CA1CA2CA9
SCHEMBL10056671 0.82 KCNH2 (0.50) KDM4EPTK2KCNH2SCN5ASCN9A
SCHEMBL8032408 0.76 KDM4E (0.53) KDM4ECA12CA1CA2CA9
SCHEMBL30949018 0.70 MET (0.52) PTK2PLK4KDRMETKCNH2
SCHEMBL4386263 0.68 KDM4E (0.72) KDM4ECA12CA1CA2CA9
SCHEMBL4572094 0.68 MEN1 (0.49) KDM4EHSP90AA1KCNH2SCN5ASCN9A
SCHEMBL4572103 0.68 CYP2C9 (0.51) KDM4EKCNH2SCN5ASCN9AMAPT
SCHEMBL10057776 0.66 MEN1 (0.45) KDM4EKCNH2SCN5ASCN9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809343-B2 Pyrimidine derivative, preparation method and use thereof FUDAN UNIVERSITY (CN) 2014-08-19 US disclosed
US-20120122902-A1 PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF FUDAN UNIVERSITY (CN) 2012-05-17 US 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-20120122902-A1 PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF DPYD, TYMP, TYMS KDM4E 1090/4885PTK2 4600/4885PLK4 1701/4885

“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.