SCHEMBL4937639

SCHEMBL4937639

CCOc1ccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 19/20 0.80
KCNJ3 P48549 19/20 0.80
KCNJ5 P48544 14/20 0.74
BRAF P15056 1/20 0.64

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
SCHEMBL13234630 0.89 KCNJ6 (0.75) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL4936063 0.89 KCNJ6 (1.00) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL13234482 0.86 KCNJ6 (0.84) KCNJ6KCNJ3KCNJ5
SCHEMBL4938366 0.84 KCNJ6 (0.74) KCNJ6KCNJ3KCNJ5
SCHEMBL13234480 0.84 KCNJ6 (0.76) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL13234475 0.83 KCNJ6 (0.92) KCNJ6KCNJ3KCNJ5
SCHEMBL13234629 0.79 MEN1 (0.72) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL13859627 0.77 KCNJ6 (0.69) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL4938157 0.77 KCNJ6 (0.75) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL4932003 0.77 KCNJ6 (0.78) KCNJ6KCNJ3KCNJ5BRAF

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-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US claimed
EP-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006068591-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
EP-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
EP-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006068591-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2006-06-29 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-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors CHRM2, CHRNA1, CHRM1 KCNJ6 720/4885KCNJ3 654/4885KCNJ5 673/4885

“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.