Sugi Predict

Sugi Predict / Compounds / SCHEMBL2540595

SCHEMBL2540595

SCHEMBL2540595

CNC(=O)c1ccc(C)c(Nc2ncc(C#N)c(NCCC(C)(C)C)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.55
▸ MAP3K14 Q99558 1/20 0.47
▸ MAPK14 Q16539 5/20 0.44
▸ MAPK11 Q15759 3/20 0.44
▸ MAPK13 O15264 2/20 0.44
▸ MAPK12 P53778 2/20 0.44
▸ BRAF P15056 1/20 0.40

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
SCHEMBL2540599 0.80 MAPK14 (0.57) LRRK2MAP3K14MAPK14MAPK11MAPK13
SCHEMBL12251205 0.80 LRRK2 (0.56) LRRK2MAP3K14MAPK14MAPK11MAPK13
SCHEMBL12229737 0.76 MAPK14 (0.53) LRRK2MAPK14MAPK11MAPK13MAPK12
SCHEMBL12229678 0.73 MAPK14 (0.51) LRRK2MAP3K14MAPK14MAPK11MAPK13
SCHEMBL9275852 0.71 LRRK2 (1.00) LRRK2
SCHEMBL12229736 0.71 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12
SCHEMBL12229835 0.70 MAPK14 (0.48) MAP3K14MAPK14MAPK11MAPK13MAPK12
SCHEMBL9281530 0.69 LRRK2 (0.83) LRRK2
SCHEMBL12229732 0.69 MAPK14 (0.49) MAP3K14MAPK14MAPK11MAPK13MAPK12
SCHEMBL2537333 0.69 MAPK14 (0.84) MAPK14MAPK11MAPK13MAPK12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406875-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2013-07-31 — — EP disclosed
US-8044040-B2 e.g. 3-{3-Cyano-6-[(2,2-dimethyl-propyl)-methyl-amino]-5-fluoro-pyridin-2-ylamino}-N-methoxy-4-methyl-benzamide; via p38 kinase inhibition; (anilino)(halo)pyrimidine or (anilino)(amino)pyrimidine derivatives; rheumatoid arthritis, psoriasis, Crohn's Disease, osteoarthritis or osteoporosis BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 — — US disclosed
US-20080015185-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY 2008-01-17 — — US disclosed
US-7253174-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 — — US disclosed
US-20060276488-A1 N-heterocyclic inhibitors of TNF-alpha expression BRISTOL-MYERS SQUIBB COMPANY 2006-12-07 — — US disclosed
US-20030139435-A1 N-heterocyclic inhibitors of TNF-alpha expression BRISTOL-MYERS SQUIBB COMPANY 2003-07-24 — — 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-20080015185-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION TNF, RELA, NFKBIA LRRK2 2199/4885MAP3K14 95/4885MAPK14 113/4885
US-20030139435-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, TNFRSF1A LRRK2 2391/4885MAP3K14 93/4885MAPK14 99/4885
US-20060276488-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA LRRK2 2199/4885MAP3K14 95/4885MAPK14 113/4885

“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.