SCHEMBL3086781

SCHEMBL3086781

CN(C)C(=O)Nc1snc(OCc2ccccc2Cl)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.41
TGFBR2 P37173 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NTRK1 P04629 1/20 0.41
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
MAPK8 P45983 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NR4A2 P43354 1/20 0.36
PLK1 P53350 3/20 0.36
ADAM17 P78536 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
SCHEMBL4850017 0.92 ACVR2A (0.40) ACVR2ATGFBR2MEN1PKMCASP3
SCHEMBL3083384 0.88 ACVR2A (0.42) ACVR2ATGFBR2MAOBMAPK8MAPT
SCHEMBL3082934 0.88 PARP10 (0.43) ACVR2ATGFBR2KMT2AMAOBMAPK8
SCHEMBL3096443 0.88 ACVR2A (0.45) ACVR2ATGFBR2MEN1KMT2AMAPK8
SCHEMBL3071400 0.86 MAPK8 (0.45) ACVR2ATGFBR2MEN1KMT2AMAPK8
SCHEMBL3092006 0.85 MAOB (0.46) ACVR2ATGFBR2NTRK1MAOBMAOA
SCHEMBL3078380 0.85 ACVR2A (0.50) ACVR2ATGFBR2MEN1CASP3KMT2A
SCHEMBL3082526 0.83 NTRK1 (0.47) ACVR2ATGFBR2MEN1KMT2ANTRK1
SCHEMBL3083375 0.83 ACVR2A (0.40) ACVR2ATGFBR2MEN1KMT2AMAPK8
SCHEMBL3097457 0.82 KMT2A (0.37) MEN1PKMCASP3KMT2ASENP8

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 3414/4885MEN1 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 ACVR2A 2547/4885TGFBR2 1883/4885MEN1 1782/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 ACVR2A 4702/4885TGFBR2 3414/4885MEN1 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.