SCHEMBL6070542

SCHEMBL6070542

CS(=O)(=O)c1nccc(-c2[nH]ncc2-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.55
RPS6KA3 P51812 3/20 0.47
AKT1 P31749 2/20 0.47
AURKA O14965 1/20 0.47
CDK1 P06493 1/20 0.47
LYN P07948 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
GSK3B P49841 1/20 0.47
PRKCZ Q05513 1/20 0.47
PRKCD Q05655 1/20 0.47
ERBB4 Q15303 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
AKT3 Q9Y243 1/20 0.47
AKT2 P31751 1/20 0.44

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
SCHEMBL4447801 0.79 BPTF (0.54) AURKAPRKACAPRKCDERBB4
SCHEMBL6070097 0.76 TGFBR1 (0.60) TGFBR1RPS6KA3AKT1AURKACDK1
SCHEMBL8234122 0.76 MAPK8 (0.37) CDK1CDK2
SCHEMBL6070210 0.75 TGFBR1 (0.56) TGFBR1RPS6KA3AKT1AURKACDK1
SCHEMBL3572760 0.72 HSP90AA1 (0.57) PRKCZPRKCD
SCHEMBL30122726 0.71 SDHB (0.47) ERBB4
SCHEMBL6069875 0.70 TGFBR1 (0.52) TGFBR1CDK2GSK3BPRKCD
SCHEMBL31443295 0.70 MAPK8 (0.52) AKT1AURKAPIM1AKT2
SCHEMBL4977359 0.69 MAPK14 (0.56) TGFBR1MAPK14
SCHEMBL5361055 0.68 KDM4E (0.52)

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
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 TGFBR1 429/4885RPS6KA3 268/4885AKT1 189/4885

“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.