SCHEMBL4004563

SCHEMBL4004563

O=S(=O)(Oc1ccc2[nH]nc(I)c2c1)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ MAP2K4 P45985 7/20 0.38
▸ ITK Q08881 1/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ MAP2K7 O14733 2/20 0.36
▸ GPR17 Q13304 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ FADS1 O60427 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4010010 0.91 GPR17 (0.37) TTKMAPK8MAP2K4ITKHTR6
SCHEMBL4014470 0.87 TTK (0.41) TTKMAPK8MAP2K4ITKHTR6
SCHEMBL4008249 0.86 TTK (0.41) TTKMAPK8MAP2K4ITKHTR6
SCHEMBL4008264 0.86 TTK (0.43) TTKMAPK8MAP2K4ITKHTR6
SCHEMBL4004440 0.84 TTK (0.52) TTKMAPK8MAP2K4MAP2K7
SCHEMBL4006373 0.83 NTRK1 (0.41) TTKMAPK8MAP2K4ITKHTR6
SCHEMBL4007171 0.82 NTRK1 (0.44) TTKMAPK8MAP2K4ITKHTR6
SCHEMBL4007257 0.80 APEX1 (0.53) TTKMAPK8GPR17PGRTDP1
SCHEMBL4015191 0.79 NTRK1 (0.48) —
SCHEMBL4010511 0.78 ITK (0.62) ITK

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 TTK 215/4885MAPK8 355/4885MAP2K4 340/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 TTK 223/4885MAPK8 374/4885MAP2K4 328/4885

“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