SCHEMBL3000844

SCHEMBL3000844

O=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)/C(=N\O)CCNC3=O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.73
CDK5 Q00535 2/20 0.60
CDK5R1 Q15078 2/20 0.60
MAPK1 P28482 1/20 0.60
MAP2K1 Q02750 1/20 0.60
RPS6KA3 P51812 4/20 0.47
NAMPT P43490 1/20 0.44
LMNA P02545 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
RPS6KA2 Q15349 1/20 0.43

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
SCHEMBL3000848 1.00 MAPKAPK2 (0.73) MAPKAPK2CDK5CDK5R1MAPK1MAP2K1
SCHEMBL13248535 0.90 MAPKAPK2 (0.57) MAPKAPK2CDK5CDK5R1MAPK1MAP2K1
SCHEMBL2993682 0.89 MAPKAPK2 (0.79) MAPKAPK2CDK5CDK5R1MAPK1MAP2K1
SCHEMBL6101687 0.86 MAPKAPK2 (0.64) MAPKAPK2CDK5CDK5R1MAPK1MAP2K1
SCHEMBL6101677 0.86 MAPKAPK2 (0.64) MAPKAPK2CDK5CDK5R1MAPK1MAP2K1
SCHEMBL2998184 0.85 MAPKAPK2 (1.00) MAPKAPK2CDK5CDK5R1MAPK1MAP2K1
SCHEMBL2996144 0.81 MAPKAPK2 (0.89) MAPKAPK2CDK5MAPK1MAP2K1RPS6KA3
SCHEMBL2990226 0.80 MAPKAPK2 (0.68) MAPKAPK2MAPK1MAP2K1NAMPTLMNA
SCHEMBL2990223 0.80 MAPKAPK2 (0.68) MAPKAPK2MAPK1MAP2K1NAMPTLMNA
SCHEMBL3000971 0.80 MAPKAPK2 (0.68) MAPKAPK2MAPK1MAP2K1NAMPTLMNA

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885CDK5 186/4885CDK5R1 236/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885CDK5 186/4885CDK5R1 236/4885

“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.