SCHEMBL4008407

SCHEMBL4008407

CS(=O)(=O)c1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cccc1S(=O)(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 5/20 0.68
▸ CDK4 P11802 7/20 0.52
▸ CCNA2 P20248 7/20 0.52
▸ CCND1 P24385 7/20 0.52
▸ CDK2 P24941 7/20 0.52
▸ CCND3 P30281 7/20 0.52
▸ JAK2 O60674 5/20 0.50
▸ JAK1 P23458 5/20 0.50
▸ TYK2 P29597 5/20 0.50
▸ JAK3 P52333 5/20 0.50
▸ MAP3K8 P41279 4/20 0.50
▸ CHEK1 O14757 4/20 0.50
▸ KDR P35968 3/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ FLT1 P17948 1/20 0.50

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
SCHEMBL4011766 0.83 ITK (0.54) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL12813359 0.81 PDPK1 (1.00) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL5523267 0.79 CDK4 (0.69) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL5518740 0.79 CDK4 (0.64) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL3533024 0.77 PDPK1 (0.73) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL5953022 0.77 PDPK1 (0.62) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL5514172 0.77 PDPK1 (0.64) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL5514612 0.77 PDPK1 (0.61) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL5515337 0.77 CDK4 (0.85) PDPK1CDK4CCNA2CCND1CDK2
SCHEMBL5508107 0.75 CDK4 (0.60) PDPK1CDK4CCNA2CCND1CDK2

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-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US claimed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 PDPK1 61/4885CDK4 84/4885CCNA2 633/4885

“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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