SCHEMBL3083357

SCHEMBL3083357

NC(=O)c1c(OCc2cccc(CF)c2CF)nsc1NC(=O)NCCc1cnc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.43
HTR3B O95264 5/20 0.43
HTR3A P46098 5/20 0.43
HTR3D Q70Z44 5/20 0.43
HTR3C Q8WXA8 5/20 0.43
ACVR2A P27037 1/20 0.42
TGFBR2 P37173 1/20 0.42
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41

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
SCHEMBL3094165 0.83 KDR (0.51) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL4852237 0.83 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3090347 0.82 KDR (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3086883 0.76 KDR (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3093941 0.75 KDR (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3077741 0.75 KDR (0.53) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3084134 0.75 KDR (0.49) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3083362 0.75 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3224255 0.74 KDR (0.49) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3094494 0.74 KDR (0.44) ACVR2ATGFBR2PLK4AURKAEPHB6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790902-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2010-09-07 US disclosed
US-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents PFIZER, INC. (US) 2008-12-04 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-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents CDKN1A, TK1, CDK1 HTR3E 2567/4885HTR3B 2911/4885HTR3A 2150/4885

“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.