SCHEMBL3092006

SCHEMBL3092006

CN(C)C(=O)Nc1snc(OCc2ccccc2C(F)(F)F)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.41
PLK1 P53350 10/20 0.40
ACVR2A P27037 1/20 0.40
TGFBR2 P37173 1/20 0.40
MAP4K4 O95819 2/20 0.39
CSF1R P07333 2/20 0.39
KDR P35968 2/20 0.39
NEK2 P51955 2/20 0.39
LIMK1 P53667 2/20 0.39
STK3 Q13188 2/20 0.39
DYRK1A Q13627 2/20 0.39
BRSK1 Q8TDC3 2/20 0.39
SLK Q9H2G2 2/20 0.39
PLK3 Q9H4B4 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MAP4K5 Q9Y4K4 2/20 0.39
PIM1 P11309 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39

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
SCHEMBL3082934 0.87 PARP10 (0.43) MAOBPLK1ACVR2ATGFBR2MAP4K4
SCHEMBL3083384 0.86 ACVR2A (0.42) MAOBPLK1ACVR2ATGFBR2MAP4K4
SCHEMBL3086781 0.85 ACVR2A (0.41) MAOBMAOAPLK1ACVR2ATGFBR2
SCHEMBL3096443 0.85 ACVR2A (0.45) PLK1ACVR2ATGFBR2NR3C2IDO1
SCHEMBL3071400 0.83 MAPK8 (0.45) ACVR2ATGFBR2ATM
SCHEMBL3083375 0.82 ACVR2A (0.40) ACVR2ATGFBR2MAP4K4KDRBRSK1
SCHEMBL3078380 0.82 ACVR2A (0.50) ACVR2ATGFBR2MAP4K4KDRBRSK1
SCHEMBL3087682 0.82 MAOB (0.44) MAOBACVR2ATGFBR2MAP4K4KDR
SCHEMBL4850017 0.81 ACVR2A (0.40) ACVR2ATGFBR2MAP4K4KDRBRSK1
SCHEMBL3078451 0.81 MAOB (0.47) MAOBACVR2ATGFBR2NR3C2IDO1

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 MAOB 4447/4885MAOA 4739/4885PLK1 372/4885
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 MAOB 3423/4885MAOA 3278/4885PLK1 264/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 MAOB 4447/4885MAOA 4739/4885PLK1 372/4885

“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.