SCHEMBL3085751

SCHEMBL3085751

CCSc1nsc(NC(=O)N2CCCC2)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
RECQL P46063 1/20 0.49
NTRK1 P04629 14/20 0.43
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3084229 0.77 HSD17B10 (0.57) HSD17B10NTRK1HTT
SCHEMBL3082676 0.76 PDGFRB (0.42) HSD17B10RECQLKMT2AMEN1CNR2
SCHEMBL3087384 0.75 HSD17B10 (0.44) HSD17B10NTRK1HTTNPC1RAB9A
SCHEMBL3091271 0.74 HSD17B10 (0.44) HSD17B10NTRK1HTTNPC1RAB9A
SCHEMBL3087093 0.74 TLR2 (0.41) RECQLKMT2AMEN1CNR2NPC1
SCHEMBL3091211 0.73 HSD17B10 (0.52) HSD17B10NTRK1HTT
SCHEMBL3094462 0.71 HSD17B10 (0.50) HSD17B10NTRK1HTT
SCHEMBL3078833 0.70 NTRK1 (0.53) HSD17B10NTRK1NPC1RAB9A
SCHEMBL3093434 0.69 KDR (0.50) HSD17B10NTRK1HTTKMT2AMEN1
SCHEMBL3071931 0.69 KDR (0.56) HSD17B10NTRK1HTT

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 HSD17B10 2103/4885RECQL 361/4885NTRK1 4363/4885
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 HSD17B10 2930/4885RECQL 1282/4885NTRK1 772/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 HSD17B10 2103/4885RECQL 361/4885NTRK1 4363/4885

“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.