SCHEMBL385628

SCHEMBL385628

CCCOc1ccccc1-c1cc(-c2ccc([N+](=O)[O-])c(C)c2)nc(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 1/20 0.44
CDC7 O00311 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
XDH P47989 2/20 0.43
EIF4A1 P60842 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PDE5A O76074 8/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL383394 0.84 PIM1 (0.53) PIM1LMNAMAPTCDC7CSNK2A2
SCHEMBL383588 0.84 PIM1 (0.70) PIM1LMNAMAPTCDC7CSNK2A2
SCHEMBL385518 0.80 PIM1 (0.67) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL383070 0.77 PIM1 (0.67) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL385748 0.77 PIM1 (0.67) PIM1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14735647 0.77 CDC7 (0.66) PIM1CDC7GSK3BCSNK2A1PDE5A
SCHEMBL385740 0.76 PIM1 (0.66) PIM1CDC7CSNK2A2CLK1GSK3B
Hydrochloric Acid SCHEMBL386384 0.76 PIM1 (0.66) PIM1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL384903 0.76 PIM1 (0.63) PIM1LMNACDC7CSNK2A2CLK1
SCHEMBL384910 0.75 PIM1 (0.65) PIM1SMN1; SMN2MAPTCDC7CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 PIM1 429/4885NPC1 4365/4885RAB9A 3959/4885

“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.