SCHEMBL4568608

SCHEMBL4568608

[C-]#[N+]c1ccc(Nc2nc(OC)cc(Oc3cccc4cccnc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTK2 Q05397 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 4/20 0.36
HCRTR1 O43613 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SLC40A1 Q9NP59 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL4568606 0.88 KDM4E (0.42) KDM4EMEN1KMT2ALMNAL3MBTL1
SCHEMBL4568612 0.88 KDM4E (0.43) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL4568607 0.85 KDM4E (0.47) KDM4ERAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4572103 0.83 CYP2C9 (0.51) KDM4EMEN1KMT2ALMNASLC40A1
SCHEMBL8032408 0.73 KDM4E (0.53) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL10057776 0.71 MEN1 (0.45) KDM4EMEN1KMT2ALMNASLC40A1
SCHEMBL4572094 0.71 MEN1 (0.49) KDM4EMEN1KMT2ALMNAPOLB
SCHEMBL10056671 0.68 KCNH2 (0.50) KDM4EMEN1KMT2APTK2EGLN1
SCHEMBL1927913 0.65 VSIR (0.61) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL170428 0.65 MEN1 (0.68) KDM4EMEN1KMT2ARAB9ANPC1

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 1090/4885MEN1 3555/4885KMT2A 3566/4885

“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.