SCHEMBL3343922

SCHEMBL3343922

CC(C)COc1ccc(F)cc1-c1cc(-c2ccc(F)c(C#N)c2)nc(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 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
SCHEMBL3340593 0.92 XDH (0.52) XDH
SCHEMBL3338671 0.79 XDH (0.44) XDH
SCHEMBL3340011 0.76 XDH (0.47) XDH
SCHEMBL7645245 0.75 XDH (0.47) XDH
SCHEMBL386915 0.72 KDM4E (0.61)
SCHEMBL14023022 0.72 PIM1 (0.55) XDH
SCHEMBL3341820 0.71 CDC7 (0.43) XDH
SCHEMBL386224 0.71 PIM1 (0.67) XDH
SCHEMBL3340437 0.70 XDH (0.44) XDH
SCHEMBL3342615 0.69 TP53 (0.43) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
CN-102317281-A Pyrimidinones as Casein Hormone II (CK2) Modulators EXELIXIS INC 2012-01-11 CN 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 XDH 283/4885

“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.