SCHEMBL24620549

SCHEMBL24620549

Cc1cnc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(Cl)cc3F)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.44
WDR5 P61964 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN1 Q05586 1/20 0.42
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DDR1 Q08345 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL29808543 1.00 GRM4 (0.44) GRM4WDR5GRIN2AGRIN1ALDH1A1
SCHEMBL24620569 0.91 EPHX2 (0.39) GRM4WDR5GRIN2AGRIN1ALDH1A1
SCHEMBL29808368 0.91 EPHX2 (0.39) GRM4WDR5GRIN2AGRIN1ALDH1A1
SCHEMBL29808151 0.91 P2RX3 (0.42) WDR5GRIN2AGRIN1
SCHEMBL22588442 0.91 P2RX3 (0.42) WDR5GRIN2AGRIN1
SCHEMBL29808176 0.88 ALDH1A1 (0.46) WDR5GRIN2AGRIN1ALDH1A1NPC1
SCHEMBL22588976 0.88 ALDH1A1 (0.46) WDR5GRIN2AGRIN1ALDH1A1NPC1
SCHEMBL24620645 0.85 GRIN2A (0.53) GRM4WDR5GRIN2AGRIN1
SCHEMBL29808041 0.85 GRIN2A (0.53) GRM4WDR5GRIN2AGRIN1
SCHEMBL22588864 0.85 GRM4 (0.46) GRM4WDR5ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113692405-A Derivatives of N- ((heteroaryl) methyl) -1-tosyl-1H-pyrazole-3-carboxamide as KV3 potassium channel activators for the treatment of neurological or psychiatric disorders H.隆德贝克有限公司 2021-11-23 CN claimed
US-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H LUNDBECK AS (DK) 2022-07-14 US disclosed
CN-113692405-A Derivatives of N- ((heteroaryl) methyl) -1-tosyl-1H-pyrazole-3-carboxamide as KV3 potassium channel activators for the treatment of neurological or psychiatric disorders H.隆德贝克有限公司 2021-11-23 CN 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-20220220095-A1 N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS KCNA3, KCNK3, KCND3 GRM4 498/4885WDR5 2499/4885GRIN2A 82/4885

“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.