SCHEMBL4006453

SCHEMBL4006453

O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.50
▸ TTK P33981 9/20 0.47
▸ IDO1 P14902 2/20 0.46
▸ HPGD P15428 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ DCLK1 O15075 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ FER P16591 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ MARK3 P27448 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CSNK1G2 P78368 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
SCHEMBL4006003 0.95 APEX1 (0.53) APEX1TTKIDO1HPGDMAPT
SCHEMBL4007111 0.84 APEX1 (0.52) APEX1TTKIDO1ALPLLMNA
SCHEMBL4013654 0.82 APEX1 (0.50) APEX1TTKIDO1ALPLMAP2K4
SCHEMBL4008318 0.82 APEX1 (0.50) APEX1TTKIDO1ALPLTDP1
SCHEMBL4006545 0.82 APEX1 (0.50) APEX1TTKIDO1HPGDMAPT
SCHEMBL4010904 0.82 MAP2K4 (0.47) TTKIDO1HPGDMAPTDCLK1
SCHEMBL4015098 0.80 APEX1 (0.56) APEX1TTKIDO1MAPK8ALPL
SCHEMBL4015160 0.80 APEX1 (0.47) APEX1IDO1NTRK3ALPL
SCHEMBL4004440 0.80 TTK (0.52) TTKHPGDMAPTDCLK1PRKD3
SCHEMBL4014969 0.79 FLT3 (0.51) MAPTMAP4K4CDK2MARK3FLT3

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 6 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
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — 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 (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 APEX1 2215/4885TTK 215/4885IDO1 188/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 APEX1 2168/4885TTK 223/4885IDO1 289/4885

“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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