SCHEMBL3982423

SCHEMBL3982423

CS(C)(=O)=NC(=O)c1ccc(Nc2ncc(Br)c(Nc3ccc4[nH]cnc4c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 14/20 0.58
▸ GSK3B P49841 1/20 0.48
▸ CHEK1 O14757 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ CDK2 P24941 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ CDK4 P11802 1/20 0.44
▸ MAPK3 P27361 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ SYK P43405 2/20 0.42

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
SCHEMBL3985388 0.90 CDK1 (0.57) CDK1GSK3BCHEK1NTRK2CDK2
SCHEMBL3982426 0.86 CDK1 (0.57) CDK1GSK3BCHEK1NTRK2CDK2
SCHEMBL3985391 0.83 CDK1 (0.57) CDK1GSK3BCHEK1NTRK2CDK2
SCHEMBL3984442 0.75 CDK1 (0.71) CDK1CDK2KDR
SCHEMBL3982310 0.74 KDR (0.72) CDK1CDK2KDR
SCHEMBL15389069 0.71 CDK1 (0.67) CDK1CDK2CDK4MAPK3SYK
SCHEMBL3984145 0.71 CDK1 (0.60) CDK1CDK4MAPK3EGFR
SCHEMBL3988091 0.69 CDK1 (0.71) CDK1CDK2KDRCDK4
SCHEMBL3983313 0.69 CDK1 (0.61) CDK1CDK2KDR
SCHEMBL6212019 0.68 PTK2 (0.61) CDK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059511-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-20 — — EP disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 — — US disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 — — US disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 — — US disclosed
WO-2008025556-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 — — 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-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors CABLES1, CKS2, CDK2AP1 CDK1 6/4885GSK3B 1143/4885CHEK1 153/4885

“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.

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