SCHEMBL3071400

SCHEMBL3071400

CN(C)C(=O)Nc1snc(OCc2cccc3ccccc23)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PARP10 Q53GL7 2/20 0.45
ACVR2A P27037 1/20 0.42
TGFBR2 P37173 1/20 0.42
PARP15 Q460N3 1/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
POLB P06746 1/20 0.39
MTNR1A P48039 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NR2F2 P24468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 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
SCHEMBL3083384 0.87 ACVR2A (0.42) MAPK8ACVR2ATGFBR2MAPK9MAPT
SCHEMBL3082934 0.86 PARP10 (0.43) MAPK8KMT2APARP10ACVR2ATGFBR2
SCHEMBL3086781 0.86 ACVR2A (0.41) MAPK8MEN1KMT2AACVR2ATGFBR2
SCHEMBL3096443 0.86 ACVR2A (0.45) MAPK8MEN1KMT2APARP10ACVR2A
SCHEMBL4850017 0.84 ACVR2A (0.40) MEN1KMT2AACVR2ATGFBR2POLB
SCHEMBL3083375 0.83 ACVR2A (0.40) MAPK8MEN1KMT2APARP10ACVR2A
SCHEMBL3092006 0.83 MAOB (0.46) ACVR2ATGFBR2ATM
SCHEMBL3078380 0.83 ACVR2A (0.50) MEN1KMT2APARP10ACVR2ATGFBR2
SCHEMBL3094036 0.82 ACVR2A (0.48) ACVR2ATGFBR2CNR2CNR1MAPK10
SCHEMBL3091784 0.80 NTRK1 (0.48) MAPK8MEN1KMT2APOLBMTNR1A

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 MAPK8 3233/4885MEN1 933/4885KMT2A 2096/4885
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 MAPK8 362/4885MEN1 1782/4885KMT2A 1265/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 MAPK8 3233/4885MEN1 933/4885KMT2A 2096/4885

“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.