Sugi Predict

Sugi Predict / Compounds / SCHEMBL3081970

SCHEMBL3081970

SCHEMBL3081970

NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.56
▸ PLK4 O00444 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ EPHB6 O15197 1/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ MAP4K4 O95819 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ INSR P06213 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ YES1 P07947 1/20 0.56
▸ LYN P07948 1/20 0.56
▸ RET P07949 1/20 0.56
▸ MET P08581 1/20 0.56
▸ ROS1 P08922 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ BCR P11274 1/20 0.56
▸ FGFR1 P11362 1/20 0.56

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
SCHEMBL3077629 0.91 ALDH1A1 (0.49) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3081435 0.91 KDR (0.46) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3087700 0.90 KDR (0.46) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3094676 0.86 ALDH1A1 (0.47) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL4854748 0.84 ALDH1A1 (0.45) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3090386 0.83 ALDH1A1 (0.46) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3078491 0.82 ALDH1A1 (0.45) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3087213 0.81 ALDH1A1 (0.48) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3086967 0.81 ALDH1A1 (0.43) KDRPLK4AURKAEPHB6RIPK2
SCHEMBL3084570 0.81 ALDH1A1 (0.48) KDRPLK4AURKAEPHB6RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301972-A1 ANTI-FIBROTIC COMPOSITION AND RELATED METHODS FRED HUTCHINSON CANCER CENTER (US) 2023-09-28 — — US disclosed
WO-2021236718-A1 ANTI-FIBROTIC COMPOSITION AND RELATED METHODS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2021-11-25 — — WO disclosed
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-1809299-A2 PHOSPHONATE SUBSTITUTED KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-07-25 — — EP disclosed
WO-2006047507-A2 PHOSPHONATE SUBSTITUTED KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2006-05-04 — — WO disclosed
WO-2005102327-A1 DOSAGE FORMS AND METHODS OF TREATMENT USING VEGFR INHIBITORS PFIZER PRODUCTS INC. (US) 2005-11-03 — — WO disclosed
US-20050234115-A1 Dosage forms and methods of treatment using VEGFR inhibitors PFIZER INC. 2005-10-20 — — US disclosed
WO-2005082001-A2 ADVANCED ISOTHIAZOLE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-09 — — WO disclosed
WO-2005081997-A2 ISOTHIAZOLE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-09 — — WO 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 (5 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 KDR 2745/4885PLK4 1944/4885AURKA 807/4885
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 KDR 470/4885PLK4 466/4885AURKA 345/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 KDR 2745/4885PLK4 1944/4885AURKA 807/4885
US-20230301972-A1 ANTI-FIBROTIC COMPOSITION AND RELATED METHODS TGFB1, TGFBR1, SMAD3 KDR 4261/4885PLK4 1156/4885AURKA 3536/4885
US-20050234115-A1 Dosage forms and methods of treatment using VEGFR inhibitors FLT1, FLT4, KDR KDR 3/4885PLK4 623/4885AURKA 1280/4885

“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.