SCHEMBL4594839

SCHEMBL4594839

O=c1[nH]c(C(F)(F)F)nc2c1oc1ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.59
CSNK2B P67870 16/20 0.59
PIM3 Q86V86 15/20 0.59
PIM2 Q9P1W9 15/20 0.59
CSNK2A2 P19784 15/20 0.59
CDC7 O00311 4/20 0.55
CSNK2A1 P68400 3/20 0.55
GSK3B P49841 2/20 0.55
DYRK1A Q13627 2/20 0.55
DYRK3 O43781 1/20 0.55
IGF1R P08069 1/20 0.55
CLK2 P49760 1/20 0.55
GSK3A P49840 1/20 0.55
PKN2 Q16513 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CIT O14578 1/20 0.55
CYP1A2 P05177 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
TAOK3 Q9H2K8 1/20 0.55
HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL1851973 0.85 PIM1 (0.57) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL4573688 0.80 PIM1 (0.62) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL1852869 0.78 PIM1 (0.67) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL13657347 0.76 PIM1 (0.74) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL5103811 0.76 PIM1 (0.72) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL1853626 0.75 PIM1 (0.74) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL1851446 0.74 PIM1 (1.00) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL5310066 0.74 PKM (0.62) CYP1A2HRH4ALDH1A1
SCHEMBL4593581 0.73 HRH4 (0.62) PIM1CSNK2BPIM3PIM2CSNK2A2
SCHEMBL14045984 0.72 HRH4 (0.53) PIM1CSNK2BPIM3PIM2CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
EP-1812113-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS Argenta Discovery Limited (GB) 2007-08-01 EP disclosed
EP-1776982-A1 Pyrimidine compounds as histamine modulators Argenta Discovery Limited (GB) 2007-04-25 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
WO-2006050965-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS ARGENTA DISCOVERY LTD (GB) 2006-05-18 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 (2 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 PIM1 4157/4885CSNK2B 3843/4885PIM3 4362/4885
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators HRH4, HRH3, HRH2 PIM1 4244/4885CSNK2B 3999/4885PIM3 4334/4885

“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.