SCHEMBL4932003

SCHEMBL4932003

COc1ccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2C)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 17/20 0.78
KCNJ3 P48549 17/20 0.78
KCNJ5 P48544 11/20 0.72
BRAF P15056 1/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL4936063 0.88 KCNJ6 (1.00) KCNJ6KCNJ3KCNJ5BRAFMAPK13
SCHEMBL4938157 0.78 KCNJ6 (0.75) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL4937639 0.77 KCNJ6 (0.80) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL13234482 0.76 KCNJ6 (0.84) KCNJ6KCNJ3KCNJ5
SCHEMBL13234480 0.75 KCNJ6 (0.76) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL5008517 0.74 KCNJ6 (0.50) KCNJ6KCNJ3KCNJ5
SCHEMBL13234630 0.74 KCNJ6 (0.75) KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL13234475 0.73 KCNJ6 (0.92) KCNJ6KCNJ3KCNJ5
SCHEMBL4941399 0.72 MAPT (0.64)
SCHEMBL13200910 0.71 KCNJ6 (0.71) KCNJ6KCNJ3KCNJ5

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 6 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
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-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP 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.