SCHEMBL3082934

SCHEMBL3082934

CN(C)C(=O)Nc1snc(OCc2ccccc2F)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.43
PARP15 Q460N3 2/20 0.43
MAOB P27338 2/20 0.43
PARP14 Q460N5 2/20 0.43
ACVR2A P27037 1/20 0.41
TGFBR2 P37173 1/20 0.41
ALDH1A1 P00352 2/20 0.41
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
YES1 P07947 1/20 0.40
LYN P07948 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
SCHEMBL3083384 0.88 ACVR2A (0.42) MAOBACVR2ATGFBR2PLK4AURKA
SCHEMBL3078771 0.88 HTT (0.42) MAOBACVR2ATGFBR2PLK4AURKA
SCHEMBL3086781 0.88 ACVR2A (0.41) MAOBACVR2ATGFBR2MAPK8PLK1
SCHEMBL3096443 0.88 ACVR2A (0.45) PARP10PARP14ACVR2ATGFBR2ALDH1A1
SCHEMBL3092006 0.87 MAOB (0.46) MAOBACVR2ATGFBR2PLK4AURKA
SCHEMBL3083375 0.87 ACVR2A (0.40) PARP10PARP14ACVR2ATGFBR2PLK4
SCHEMBL3088945 0.86 KDR (0.47) ACVR2ATGFBR2PLK4AURKAEPHB6
SCHEMBL3071400 0.86 MAPK8 (0.45) PARP10PARP15ACVR2ATGFBR2ALDH1A1
SCHEMBL3078380 0.85 ACVR2A (0.50) PARP10ACVR2ATGFBR2ALDH1A1PLK4
SCHEMBL4850017 0.84 ACVR2A (0.40) ACVR2ATGFBR2ALDH1A1PLK4AURKA

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 PARP10 1536/4885PARP15 1030/4885MAOB 4447/4885
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 PARP10 2366/4885PARP15 1913/4885MAOB 3423/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 PARP10 1536/4885PARP15 1030/4885MAOB 4447/4885

“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.