SCHEMBL4010010

SCHEMBL4010010

O=S(=O)(Oc1cccc(F)c1)c1ccc2[nH]nc(I)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 2/20 0.37
▸ P2RY2 P41231 1/20 0.36
▸ MAP2K4 P45985 7/20 0.36
▸ MAP2K7 O14733 2/20 0.35
▸ RIPK2 O43353 3/20 0.34
▸ TTK P33981 2/20 0.34
▸ FADS1 O60427 1/20 0.34
▸ ITK Q08881 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ HTR6 P50406 2/20 0.32
▸ MAPK8 P45983 1/20 0.32

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
SCHEMBL4004563 0.91 TTK (0.41) GPR17MAP2K4MAP2K7TTKFADS1
SCHEMBL4013332 0.87 GPR17 (0.40) GPR17P2RY2MAP2K4MAP2K7RIPK2
SCHEMBL4009643 0.86 TDP1 (0.38) GPR17P2RY2MAP2K4MAP2K7RIPK2
SCHEMBL4013454 0.86 GPR17 (0.37) GPR17P2RY2MAP2K4MAP2K7RIPK2
SCHEMBL4010904 0.84 MAP2K4 (0.47) MAP2K4MAP2K7TTKMAPK8
SCHEMBL4009669 0.83 NTRK1 (0.41) GPR17P2RY2MAP2K4MAP2K7RIPK2
SCHEMBL4008126 0.82 NTRK1 (0.44) GPR17P2RY2MAP2K4MAP2K7
SCHEMBL4008318 0.80 APEX1 (0.50) GPR17TTKKCNH2
SCHEMBL4014693 0.79 NTRK1 (0.48) GPR17P2RY2
SCHEMBL4014470 0.77 TTK (0.41) GPR17P2RY2MAP2K4MAP2K7TTK

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 GPR17 2871/4885P2RY2 1388/4885MAP2K4 340/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 GPR17 2968/4885P2RY2 1863/4885MAP2K4 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.

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