SCHEMBL2993682

SCHEMBL2993682

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

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.79
MAPK1 P28482 1/20 0.64
MAP2K1 Q02750 1/20 0.64
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
RPS6KA3 P51812 4/20 0.49
NAMPT P43490 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
RPS6KA2 Q15349 1/20 0.46

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
SCHEMBL3000844 0.89 MAPKAPK2 (0.73) MAPKAPK2MAPK1MAP2K1CDK5CDK5R1
SCHEMBL3000848 0.89 MAPKAPK2 (0.73) MAPKAPK2MAPK1MAP2K1CDK5CDK5R1
SCHEMBL2998184 0.88 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1CDK5CDK5R1
SCHEMBL2996144 0.84 MAPKAPK2 (0.89) MAPKAPK2MAPK1MAP2K1CDK5RPS6KA3
SCHEMBL2987036 0.83 MAPKAPK2 (0.87) MAPKAPK2MAPK1MAP2K1CDK5RPS6KA3
SCHEMBL6101677 0.82 MAPKAPK2 (0.64) MAPKAPK2MAPK1MAP2K1CDK5CDK5R1
SCHEMBL6101687 0.82 MAPKAPK2 (0.64) MAPKAPK2MAPK1MAP2K1CDK5CDK5R1
SCHEMBL2998498 0.80 MAPKAPK2 (0.75) MAPKAPK2MAPK1MAP2K1NAMPTCYP11B1
SCHEMBL2991108 0.78 MAPKAPK2 (0.66) MAPKAPK2MAPK1MAP2K1RPS6KA3RPS6KA2
SCHEMBL3005586 0.78 MAPKAPK2 (1.00) MAPKAPK2MAPK1MAP2K1

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 4 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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
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 1/4885MAPK1 33/4885MAP2K1 65/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MAPK1 33/4885MAP2K1 65/4885

“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.