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SCHEMBL378655

SCHEMBL378655

NC(=O)c1c(OCc2c(F)cc(Cl)cc2F)nsc1NC(=O)NCCCCN1CCCC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.85
▸ PDGFRB P09619 7/20 0.85
▸ FLT1 P17948 6/20 0.85
▸ PLK4 O00444 1/20 0.85
▸ AURKA O14965 1/20 0.85
▸ EPHB6 O15197 1/20 0.85
▸ RIPK2 O43353 1/20 0.85
▸ STK10 O94804 1/20 0.85
▸ MAP4K4 O95819 1/20 0.85
▸ ABL1 P00519 1/20 0.85
▸ EGFR P00533 1/20 0.85
▸ INSR P06213 1/20 0.85
▸ LCK P06239 1/20 0.85
▸ FYN P06241 1/20 0.85
▸ YES1 P07947 1/20 0.85
▸ LYN P07948 1/20 0.85
▸ RET P07949 1/20 0.85
▸ MET P08581 1/20 0.85
▸ ROS1 P08922 1/20 0.85
▸ BCR P11274 1/20 0.85

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
SCHEMBL3087425 0.99 KDR (0.84) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3091898 0.97 KDR (0.81) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3078421 0.94 KDR (0.75) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3083722 0.94 KDR (0.75) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3086068 0.94 KDR (0.75) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3083706 0.93 KDR (0.88) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3082374 0.93 KDR (0.74) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3071190 0.93 KDR (0.74) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL3084449 0.93 KDR (0.74) KDRPDGFRBFLT1PLK4AURKA
SCHEMBL4851378 0.92 KDR (0.73) KDRPDGFRBFLT1PLK4AURKA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 — — US claimed
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 — — EP claimed
EP-1545519-B1 COMBINATION THERAPY FOR HYPERPROLIFERATIVE DISEASES PFIZER (US) 2011-03-23 — — EP claimed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 — — US claimed
US-20070197517-A1 Combination therapy for hyperproliferative disease PFIZER INC. 2007-08-23 — — US claimed
EP-1784183-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES Pfizer Products Incorporated (US) 2007-05-16 — — EP claimed
WO-2006026034-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-03-09 — — WO claimed
EP-1545519-A1 COMBINATION THERAPY FOR HYPERPROLIFERATIVE DISEASES Pfizer Products Inc. (US) 2005-06-29 — — EP claimed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 — — EP claimed
WO-2004017964-A1 COMBINATION THERAPY FOR HYPERPROLIFERATIVE DISEASES PFIZER PRODUCTS INC. (US) 2004-03-04 — — WO claimed
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2003-08-07 — — US claimed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 — — US claimed
US-6235764-B1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2001-05-22 — — US claimed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 — — EP claimed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 — — WO claimed
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 — — US disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 — — 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-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 KDR 2551/4885PDGFRB 3219/4885FLT1 832/4885
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 KDR 2745/4885PDGFRB 3361/4885FLT1 1112/4885
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 KDR 2246/4885PDGFRB 3147/4885FLT1 849/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 KDR 2745/4885PDGFRB 3361/4885FLT1 1112/4885
US-20070197517-A1 Combination therapy for hyperproliferative disease TOP1, TOP2B, TOP2A KDR 1127/4885PDGFRB 979/4885FLT1 333/4885

“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.