SCHEMBL3078433

SCHEMBL3078433

CCN1CCCC1CNC(=O)Nc1snc(OCc2cccc(Cl)c2Cl)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.45
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL3093907 0.85 ACVR2A (0.43) DRD2MEN1KMT2APLK4AURKA
SCHEMBL3090468 0.83 PLK4 (0.46) DRD2PLK4AURKAEPHB6RIPK2
SCHEMBL3085412 0.81 KDR (0.57) MEN1KMT2APLK4AURKAEPHB6
SCHEMBL3091573 0.79 KDR (0.46) MEN1KMT2APLK4AURKAEPHB6
SCHEMBL3071496 0.79 KDR (0.60) PLK4AURKAEPHB6RIPK2STK10
SCHEMBL3096984 0.79 ACVR2A (0.46) MEN1KMT2APLK4AURKAEPHB6
SCHEMBL3086488 0.79 KDR (0.45) MEN1KMT2APLK4AURKAEPHB6
SCHEMBL3073928 0.78 ACVR2A (0.44) MEN1KMT2APLK4AURKAEPHB6
SCHEMBL3078448 0.77 ACVR2A (0.44) MEN1KMT2APLK4AURKAEPHB6
SCHEMBL3097014 0.77 KDR (0.52) LMNAKMT2APLK4AURKAEPHB6

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 DRD2 3591/4885CYP1A2 484/4885MEN1 933/4885
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 DRD2 4469/4885CYP1A2 1271/4885MEN1 1782/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 DRD2 3591/4885CYP1A2 484/4885MEN1 933/4885

“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.