SCHEMBL3085171

SCHEMBL3085171

CCCOc1nsc(NC(=O)N(C)C)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.37
TGFBR2 P37173 1/20 0.37
KDR P35968 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
MAP4K4 O95819 2/20 0.33
MAP4K2 Q12851 2/20 0.33
MAP4K5 Q9Y4K4 2/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
EPHB6 O15197 1/20 0.33
RIPK2 O43353 1/20 0.33
STK10 O94804 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
YES1 P07947 1/20 0.33

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
SCHEMBL3091314 0.93 KDR (0.38) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3071384 0.91 XDH (0.38) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3090084 0.90 MEN1 (0.40) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3087047 0.90 MEN1 (0.40) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3086425 0.90 MEN1 (0.40) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3087282 0.90 MEN1 (0.40) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3071104 0.90 MEN1 (0.40) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3078888 0.90 KMT2A (0.38) ACVR2ATGFBR2KDRKMT2AMAPT
SCHEMBL3083990 0.89 ACVR2A (0.35) ACVR2ATGFBR2KDRKMT2AMAP4K4
SCHEMBL3087286 0.87 MAPK1 (0.43) ACVR2ATGFBR2KDRKMT2AMAPT

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 10 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
US-7405218-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2008-07-29 US disclosed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 EP disclosed
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2003-08-07 US disclosed
US-6548526-B2 Isothiazole derivatives useful as anticancer agents PFIZER INC 2003-04-15 US disclosed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 US disclosed
US-6235764-B1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2001-05-22 US disclosed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 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 (3 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-20010020034-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 ACVR2A 4702/4885TGFBR2 3414/4885KDR 2745/4885
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 ACVR2A 2547/4885TGFBR2 1883/4885KDR 470/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 ACVR2A 4702/4885TGFBR2 3414/4885KDR 2745/4885

“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.