SCHEMBL13305124

SCHEMBL13305124

[C-]#[N+]c1cc(-c2cc(-c3ccccc3)[nH]c(=O)n2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 1/20 0.61
CDC7 O00311 11/20 0.60
PIM1 P11309 3/20 0.54
GSK3B P49841 2/20 0.54
CSNK2A1 P68400 2/20 0.54
CSNK2A2 P19784 1/20 0.54
CLK1 P49759 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
MAPK13 O15264 1/20 0.53
DAPK3 O43293 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
CDK1 P06493 1/20 0.53
FGFR1 P11362 1/20 0.53
RPS6KB1 P23443 1/20 0.53

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
SCHEMBL385834 0.81 CDC7 (0.72) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL383305 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10CDC7
Hydrochloric Acid SCHEMBL386109 0.80 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL385565 0.78 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL28544732 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL386915 0.78 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL29699598 0.76 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL385542 0.76 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL12514653 0.73 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL28539861 0.73 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7

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-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 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-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK2A2, CSNK1A1 KDM4E 2062/4885ALDH1A1 4502/4885HPGD 2691/4885

“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.