SCHEMBL4941399

SCHEMBL4941399

COc1ccc(NC(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
THRB P10828 1/20 0.64
POLB P06746 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HSD17B10 Q99714 3/20 0.57
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2D6 P10635 2/20 0.54
NPSR1 Q6W5P4 3/20 0.52
USP2 O75604 2/20 0.52
RECQL P46063 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
FPR1 P21462 1/20 0.51
TSHR P16473 3/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4938012 0.90 MAPT (0.66) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL4936156 0.87 MAPT (0.66) MAPTPOLBKMT2A
SCHEMBL4939487 0.77 TSHR (0.61) MAPTPOLBMEN1KMT2AHSD17B10
SCHEMBL4937698 0.77 MAPT (0.55) MAPTTHRBPOLBKMT2A
SCHEMBL31120333 0.76 ALDH1A1 (0.70) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL13235187 0.75 MAPT (0.64) MAPTPOLBMEN1KMT2AHSD17B10
SCHEMBL833831 0.75 CYP3A4 (0.73) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL29813896 0.75 CYP3A4 (0.70) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL4878775 0.74 MAPT (0.76) MAPTTHRBPOLBMEN1KMT2A
SCHEMBL13235183 0.73 MAPT (0.58) MAPTPOLBMEN1KMT2ALMNA

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 MAPT 1368/4885THRB 220/4885POLB 4467/4885

“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.