SCHEMBL3096443

SCHEMBL3096443

COc1ccccc1COc1nsc(NC(=O)N(C)C)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.45
TGFBR2 P37173 1/20 0.45
MAPK8 P45983 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NR3C2 P08235 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLK1 P53350 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.36
LMNA P02545 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
SCHEMBL3083384 0.88 ACVR2A (0.42) ACVR2ATGFBR2MAPK8NR3C2PLK1
SCHEMBL3086781 0.88 ACVR2A (0.41) ACVR2ATGFBR2MAPK8KMT2AMEN1
SCHEMBL3082934 0.88 PARP10 (0.43) ACVR2ATGFBR2MAPK8PARP14PARP10
SCHEMBL3071400 0.86 MAPK8 (0.45) ACVR2ATGFBR2MAPK8PARP10KMT2A
SCHEMBL3092006 0.85 MAOB (0.46) ACVR2ATGFBR2NR3C2PLK1IDO1
SCHEMBL3078380 0.85 ACVR2A (0.50) ACVR2ATGFBR2PARP10KMT2AMEN1
SCHEMBL4850017 0.84 ACVR2A (0.40) ACVR2ATGFBR2KMT2AMEN1POLB
SCHEMBL3083375 0.83 ACVR2A (0.40) ACVR2ATGFBR2MAPK8PARP14PARP10
SCHEMBL3083162 0.82 ACVR2A (0.52) ACVR2ATGFBR2MAPK8KMT2AMEN1
SCHEMBL3078771 0.82 HTT (0.42) ACVR2ATGFBR2MAPK8IDO1

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 ACVR2A 4702/4885TGFBR2 3414/4885MAPK8 3233/4885
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 ACVR2A 2547/4885TGFBR2 1883/4885MAPK8 362/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 ACVR2A 4702/4885TGFBR2 3414/4885MAPK8 3233/4885

“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.