SCHEMBL4939487

SCHEMBL4939487

Cc1ccc(NC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
KMT2A Q03164 3/20 0.61
HSD17B10 Q99714 2/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
POLB P06746 3/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 2/20 0.58
USP2 O75604 1/20 0.55
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL13235187 0.92 MAPT (0.64) TSHRKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL13235183 0.89 MAPT (0.58) KMT2AMEN1POLBTP53MAPT
SCHEMBL4936156 0.88 MAPT (0.66) KMT2APOLBTP53MAPT
SCHEMBL4937698 0.86 MAPT (0.55) KMT2APOLBTP53MAPT
SCHEMBL15715997 0.84 MAPT (0.69) TSHRKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL4935286 0.81 KDM4E (0.61) TSHRKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL4874955 0.81 ENPP2 (0.66) TSHRKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL4877384 0.79 TSHR (0.60) TSHRKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL4882885 0.78 TSHR (0.59) TSHRKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL4941399 0.77 MAPT (0.64) TSHRKMT2AHSD17B10MEN1ALDH1A1

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 TSHR 234/4885KMT2A 2562/4885HSD17B10 2960/4885

“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.