SCHEMBL1773302

SCHEMBL1773302

COC(=O)c1cnc(-c2ccc(C(C)(C)C)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
SLC6A2 P23975 1/20 0.47
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL23146398 0.85 CDC7 (0.71) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL31341218 0.82 PTPN11 (0.58) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL4910418 0.82 CDC7 (0.52) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL8562966 0.82 ALDH1A1 (0.62) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL10853403 0.82 CDC7 (0.71) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL27727745 0.78 XDH (0.51) CDC7DBF4RAB9AMAPTSMN1; SMN2
SCHEMBL12571422 0.77 CDC7 (0.52) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL2431456 0.76 CDC7 (0.43) CDC7DBF4NPC1RAB9ASMN1; SMN2
SCHEMBL11388698 0.75 ALDH1A1 (0.51) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL2434065 0.75 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 CDC7 4218/4885DBF4 4119/4885NPC1 3977/4885

“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.