SCHEMBL2675558

SCHEMBL2675558

CS(=O)(=O)c1ccc(-c2cn[nH]c(=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
MAP4K4 O95819 4/20 0.43
MINK1 Q8N4C8 3/20 0.43
TNIK Q9UKE5 2/20 0.43
FYN P06241 1/20 0.43
KCNH2 Q12809 3/20 0.42
PIK3CA P42336 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
PTGS2 P35354 2/20 0.41
PIP4K2A P48426 1/20 0.41
METAP2 P50579 1/20 0.41
HTR3A P46098 1/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL5770101 0.79 MEN1 (0.46) KCNH2HRH3METAP2HTR3A
SCHEMBL27844309 0.75 FGFR1 (0.51) CDK5CDK5R1KCNH2HRH3HTR3A
SCHEMBL10537216 0.75 AOC3 (0.50) MAP4K4KCNH2PIK3CAHRH3HTR3A
SCHEMBL1373045 0.75 KMT2A (0.51) MAP4K4KCNH2HRH3HTR3A
SCHEMBL497670 0.74 GSK3B (0.52) CDK5CDK5R1MAP4K4MINK1KCNH2
SCHEMBL14061443 0.74 METAP2 (0.49) PIK3CAMETAP2RAF1BRAFKIF11
SCHEMBL27117100 0.74 AKT2 (0.52) CDK5CDK5R1FYNPTGS2PIP4K2A
Hydrochloric Acid SCHEMBL30015447 0.73 GSK3B (0.50) CDK5CDK5R1MAP4K4MINK1KCNH2
SCHEMBL7677302 0.73 PTGS2 (0.62) PTGS2KIF11
SCHEMBL10300269 0.73 PTGS2 (0.62) PTGS2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
CN-1279026-C Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2006-10-11 CN disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed
CN-1342149-A Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2002-03-27 CN disclosed
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO CDK5 1542/4885CDK5R1 2719/4885MAP4K4 1604/4885

“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.