SCHEMBL12252168

SCHEMBL12252168

CN(CC(C)(C)C)c1ncnc(Cl)c1N=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.37
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL12636376 0.70 PDE4A (0.34) —
SCHEMBL15165329 0.66 NPSR1 (0.45) —
SCHEMBL13081887 0.65 — —
SCHEMBL4569246 0.61 NUDT1 (0.41) NUDT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5026957 0.61 PDPK1 (0.34) —
SCHEMBL14437836 0.60 LMNA (0.41) NUDT1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1697328 0.57 NUDT1 (0.42) NUDT1
SCHEMBL31029494 0.57 LRRK2 (0.39) —
SCHEMBL18985531 0.57 LRRK2 (0.39) —
SCHEMBL23436449 0.57 KMT2A (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NUDT1 940/4885MAPK13 127/4885MAPK12 94/4885

“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.

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