SCHEMBL3220451

SCHEMBL3220451

CN(C)S(=O)(=O)NC1CC[CH]CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.45
CA2 P00918 7/20 0.45
ACHE P22303 6/20 0.45
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
DRD2 P14416 5/20 0.33
HTR2A P28223 5/20 0.33
DRD3 P35462 5/20 0.33
KIT P10721 1/20 0.33
G6PD P11413 1/20 0.32
ICAM1 P05362 1/20 0.32
VCAM1 P19320 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL11137690 0.78 CA1 (0.56) CA1CA2ACHECA12CA7
SCHEMBL1561476 0.76 CA12 (0.40) CA1CA2CA12CA7CA14
SCHEMBL4361760 0.75 CA1 (0.42) CA1CA2ACHECA12CA7
SCHEMBL181300 0.75 CA1 (0.42) CA1CA2ACHECA12CA7
SCHEMBL20641822 0.72 CA12 (0.48) CA1CA2CA12CA7CA14
SCHEMBL5596703 0.72 SMYD3 (0.39) CA1CA2CA12CA7CA14
SCHEMBL31195376 0.72 CA1 (0.40) CA1CA2ACHECA12CA7
SCHEMBL3225545 0.71 CA1 (0.60) CA1CA2CA12CA7CA14
SCHEMBL26071491 0.71 GRIA2 (0.39)
Hydrochloric Acid SCHEMBL31722568 0.68 CA1 (0.38) CA1CA2ACHECA12CA7

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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US disclosed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP disclosed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US disclosed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (2 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 CA1 2410/4885CA2 1223/4885ACHE 4516/4885
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide KCNJ2, KCNJ5, KCNA5 CA1 2011/4885CA2 158/4885ACHE 551/4885

“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.