SCHEMBL3085526

SCHEMBL3085526

CC(Oc1nsc(NC(=O)NCC2CC2)c1C(N)=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
KDR P35968 5/20 0.38
PDGFRB P09619 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
STK10 O94804 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL3091450 0.90 KDR (0.38) KMT2AMEN1GAAGFERKDR
SCHEMBL3073620 0.86 ACVR2A (0.41) KDRPDGFRBPLK4AURKAEPHB6
SCHEMBL3077749 0.85 KDR (0.51) KDRPDGFRBPLK4AURKAEPHB6
SCHEMBL3089348 0.82 KDR (0.38) KDRPDGFRBPLK4AURKAEPHB6
SCHEMBL3091599 0.81 KDR (0.52) KMT2AMEN1KDRPDGFRBPLK4
SCHEMBL3082885 0.81 KDR (0.51) KMT2AKDRPDGFRBPLK4AURKA
SCHEMBL3085690 0.80 ACVR2A (0.37) KDRPDGFRBPLK4AURKAEPHB6
SCHEMBL3091415 0.79 KDR (0.53) KMT2AKDRPDGFRBPLK4AURKA
SCHEMBL3087468 0.78 KMT2A (0.53) KMT2AMEN1KDRPDGFRBPLK4
SCHEMBL3094182 0.78 KDR (0.49) KDRPDGFRBPLK4AURKAEPHB6

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 KMT2A 1265/4885MEN1 1782/4885GAA 1605/4885

“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.