SCHEMBL4537255

SCHEMBL4537255

O=c1cc(C=Cc2ccc(Cl)cn2)ccn1-c1ccc2nc(OCCC3CCCN3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.40
MCHR1 Q99705 8/20 0.37
KCNH2 Q12809 1/20 0.37
AURKB Q96GD4 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SCN9A Q15858 2/20 0.32

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
SCHEMBL4537251 1.00 MKNK1 (0.40) MKNK1MCHR1KCNH2AURKBCYSLTR2
SCHEMBL4534768 0.85 MCHR1 (0.44) MCHR1KCNH2
SCHEMBL4534764 0.85 MCHR1 (0.44) MCHR1KCNH2
SCHEMBL13677512 0.84 MCHR1 (0.46) MCHR1KCNH2
SCHEMBL4540709 0.75 MCHR1 (0.46) MCHR1KCNH2
SCHEMBL4540712 0.75 MCHR1 (0.46) MCHR1KCNH2
SCHEMBL2887697 0.69 MCHR1 (0.59) MCHR1KCNH2
SCHEMBL2887698 0.69 MCHR1 (0.59) MCHR1KCNH2
SCHEMBL4535271 0.67 MCHR1 (0.57) MCHR1KCNH2
SCHEMBL4526443 0.66 MCHR1 (0.56) MCHR1KCNH2

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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR MKNK1 1635/4885MCHR1 357/4885KCNH2 975/4885

“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.