SCHEMBL11923830

SCHEMBL11923830

CN1Cc2[nH]cnc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE5A O76074 1/20 0.36
MKNK1 Q9BUB5 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
ADORA2B P29275 4/20 0.33
ADORA2A P29274 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PIK3CD O00329 1/20 0.33
ALPL P05186 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL23337429 0.81 MEN1 (0.40) MEN1BLMKMT2APDE5AATAD2
SCHEMBL4952952 0.68 ATAD2 (0.30) ATAD2
SCHEMBL23336559 0.67 HTR1A (0.35) MEN1BLMKMT2APDE5AADORA2B
SCHEMBL21212263 0.64 CSNK1D (0.39) MAPK14
SCHEMBL11923829 0.63 DRD2 (0.36) DRD2MAPK1
SCHEMBL5793769 0.63
SCHEMBL23337433 0.61 BRD4 (0.34) BRD4MAPK1CRBN
SCHEMBL23181633 0.61 MEN1 (0.39) MEN1BLMKMT2APDE5ABRD4
SCHEMBL15141956 0.61
SCHEMBL31685332 0.60 MEN1 (0.34) MEN1BLMKMT2AATAD2ADORA2B

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-8669259-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 US disclosed
US-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2012-08-16 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-20120208826-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK1, MTOR, GAK MEN1 2408/4885BLM 4641/4885KMT2A 1785/4885

“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.