SCHEMBL4938366

SCHEMBL4938366

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

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 4/20 0.74
KCNJ3 P48549 4/20 0.74
KCNJ5 P48544 3/20 0.74
TSHR P16473 1/20 0.74
NTRK1 P04629 7/20 0.69
MAPT P10636 4/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 1/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL13234620 0.89 MEN1 (0.78) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL13235060 0.86 KCNJ6 (1.00) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL4937639 0.84 KCNJ6 (0.80) KCNJ6KCNJ3KCNJ5
SCHEMBL16595134 0.83 NTRK1 (1.00) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL13234479 0.82 KCNJ6 (0.83) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL23203476 0.81 KCNJ6 (0.77) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL31689081 0.81 KCNJ6 (0.77) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL23203455 0.81 KCNJ6 (0.77) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL23203458 0.81 KCNJ6 (0.85) KCNJ6KCNJ3KCNJ5TSHRNTRK1
SCHEMBL16848290 0.78 KCNJ6 (1.00) KCNJ6KCNJ3KCNJ5TSHRNTRK1

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 8 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-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.