SCHEMBL213376

SCHEMBL213376

CCN1CCC(Oc2ccc(N(C(=O)c3nc[nH]c3C(N)=O)c3nc4ccccc4[nH]3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HRH3 Q9Y5N1 4/20 0.40
CHEK2 O96017 5/20 0.40
MAPT P10636 2/20 0.35
DRD3 P35462 1/20 0.34
PARP1 P09874 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL217127 0.90 HRH3 (0.37) POLBHRH3CHEK2MAPTDRD3
SCHEMBL213717 0.87 POLB (0.45) POLBCHEK2
Hydrochloric Acid SCHEMBL216265 0.86 POLB (0.44) POLBCHEK2
SCHEMBL216562 0.82 POLB (0.64) POLBMAPTDRD3
SCHEMBL214779 0.82 CHEK2 (0.47) CHEK2PARP1
SCHEMBL214398 0.80 POLB (0.45) POLBCHEK2DRD3
SCHEMBL216070 0.79 POLB (0.47) POLBMAPT
SCHEMBL215755 0.78 CHEK2 (0.39) POLBCHEK2
Hydrochloric Acid SCHEMBL213649 0.77 CHEK2 (0.38) POLBCHEK2
SCHEMBL213794 0.76 POLB (0.38) POLBCHEK2

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 POLB 3464/4885HRH3 1553/4885CHEK2 412/4885

“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.