SCHEMBL4009508

SCHEMBL4009508

CNC(=O)c1n[nH]c2ccc(S(=O)(=O)Oc3ccccc3S(C)(=O)=O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.51
▸ YTHDC1 Q96MU7 1/20 0.50
▸ CSNK2A1 P68400 4/20 0.44
▸ PAK1 Q13153 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ FLT3 P36888 2/20 0.40
▸ NTRK3 Q16288 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39

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
SCHEMBL4007991 0.89 CSNK2A1 (0.54) NTRK1CSNK2A1FLT3NTRK3CDK2
SCHEMBL4007967 0.88 NTRK1 (0.41) NTRK1CSNK2A1IDO1NTRK3CDK2
SCHEMBL4013510 0.83 HSD11B1 (0.41) NTRK1CSNK2A1KDM4ESTAT3HIF1A
SCHEMBL4008356 0.82 YTHDC1 (0.53) NTRK1YTHDC1CSNK2A1PAK1IDO1
SCHEMBL4008960 0.82 HSD11B1 (0.37) NTRK1CSNK2A1
SCHEMBL4008083 0.81 CDK7 (0.48) CSNK2A1PAK1FLT3NTRK3CDK2
SCHEMBL6554348 0.81 CSNK2A1 (0.39) NTRK1YTHDC1CSNK2A1FLT3NTRK3
SCHEMBL4010492 0.81 HSD11B1 (0.36) NTRK1CSNK2A1
SCHEMBL4010520 0.81 HSD11B1 (0.36) NTRK1CSNK2A1
SCHEMBL4013522 0.80 POLB (0.52) NTRK1YTHDC1CSNK2A1PAK1IDO1

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 4 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 disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
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 (2 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 NTRK1 1342/4885YTHDC1 4321/4885CSNK2A1 129/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 NTRK1 1376/4885YTHDC1 4416/4885CSNK2A1 111/4885

“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.

Send feedback