SCHEMBL3083162

SCHEMBL3083162

COc1ccc(COc2nsc(NC(=O)N(C)C)c2C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.52
TGFBR2 P37173 1/20 0.52
MAPK8 P45983 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
FLT3 P36888 3/20 0.39
POLB P06746 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR3C2 P08235 1/20 0.37
FFAR1 O14842 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7832071 0.90 POLB (0.44) ACVR2ATGFBR2ALDH1A1MAPTHTT
SCHEMBL3087743 0.89 ACVR2A (0.45) ACVR2ATGFBR2MAPK8ALDH1A1MAPT
SCHEMBL3082526 0.88 NTRK1 (0.47) ACVR2ATGFBR2MAPK8ALDH1A1SMN1; SMN2
SCHEMBL3078380 0.88 ACVR2A (0.50) ACVR2ATGFBR2ALDH1A1MAPTHTT
SCHEMBL3096993 0.88 ACVR2A (0.58) ACVR2ATGFBR2MAPK8ALDH1A1NPC1
SCHEMBL3094408 0.87 ACVR2A (0.44) ACVR2ATGFBR2ALDH1A1FLT3NPC1
SCHEMBL3084466 0.86 ACVR2A (0.45) ACVR2ATGFBR2ALDH1A1FLT3FFAR1
SCHEMBL3078751 0.86 ACVR2A (0.43) ACVR2ATGFBR2ALDH1A1FLT3NPC1
SCHEMBL3087682 0.85 MAOB (0.44) ACVR2ATGFBR2MAPK8FLT3MEN1
SCHEMBL3090602 0.85 ACVR2A (0.43) ACVR2ATGFBR2MAPTFLT3

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 8 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

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.