SCHEMBL3096993

SCHEMBL3096993

COc1cccc(COc2nsc(NC(=O)N(C)C)c2C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.58
TGFBR2 P37173 1/20 0.58
MAPK8 P45983 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NR3C2 P08235 1/20 0.42
PLK1 P53350 1/20 0.41
PRKCZ Q05513 2/20 0.40
MAOB P27338 3/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.39
MAPK10 P53779 1/20 0.39
PRKCI P41743 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3084188 0.90 ACVR2A (0.49) ACVR2ATGFBR2MAPK8RXFP1NR3C2
SCHEMBL3082256 0.88 ACVR2A (0.49) ACVR2ATGFBR2MAPK8NR3C2PLK1
SCHEMBL3083162 0.88 ACVR2A (0.52) ACVR2ATGFBR2MAPK8NR3C2PLK1
SCHEMBL3081929 0.87 ACVR2A (0.48) ACVR2ATGFBR2MAPK8MAOBKDM4E
SCHEMBL3091467 0.87 ACVR2A (0.48) ACVR2ATGFBR2MAPK8KDM4ENPC1
SCHEMBL3078483 0.87 ACVR2A (0.48) ACVR2ATGFBR2MAPK8NR3C2MAOB
SCHEMBL3086638 0.87 ACVR2A (0.48) ACVR2ATGFBR2MAPK8MAOBAURKA
SCHEMBL3078380 0.87 ACVR2A (0.50) ACVR2ATGFBR2KDM4ENPC1RAB9A
SCHEMBL3094036 0.85 ACVR2A (0.48) ACVR2ATGFBR2MAOBKDM4ENPC1
SCHEMBL3078451 0.85 MAOB (0.47) ACVR2ATGFBR2MAPK8NR3C2MAOB

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.