SCHEMBL3087703

SCHEMBL3087703

NC(=O)c1c(OCc2ccc(Cl)cc2F)nsc1NC(=O)NCCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49

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
SCHEMBL3088492 0.92 KDR (0.51) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3082886 0.91 KDR (0.57) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3085523 0.91 KDR (0.49) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3084646 0.91 LMNA (0.54) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3087628 0.90 PLK4 (0.50) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3082012 0.90 KDR (0.59) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3091249 0.90 QPCT (0.49) LMNAMAPTPLK4AURKAEPHB6
SCHEMBL3087180 0.89 KDR (0.51) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3079449 0.89 PDGFRB (0.50) LMNAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3071915 0.88 KDR (0.51) LMNAMAPTCYP1A2CYP3A4CYP2D6

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 LMNA 3674/4885MAPT 4482/4885CYP1A2 484/4885
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 LMNA 3232/4885MAPT 3960/4885CYP1A2 1271/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 LMNA 3674/4885MAPT 4482/4885CYP1A2 484/4885

“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.