SCHEMBL2990205

SCHEMBL2990205

COC(=O)c1ccc2[nH]c3c(c2c1)CC(CO)NC3=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.62
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GSK3B P49841 2/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
MDH2 P40926 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
PLK4 O00444 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK1 P28482 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL13248594 0.86 MAPKAPK2 (0.49) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL13248595 0.86 MAPKAPK2 (0.49) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL13248590 0.86 MAPKAPK2 (0.64) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL1661420 0.83 MAPKAPK2 (0.58) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL13268156 0.82 MEN1 (0.51) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL3001282 0.81 MAPK1 (0.56) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL2999010 0.77 MAPKAPK2 (1.00) MAPKAPK2MAPK1
SCHEMBL2992182 0.76 MAPKAPK2 (0.63) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL3001918 0.75 GSK3B (0.77) MAPKAPK2MEN1KMT2AGSK3BCCNB2
SCHEMBL6240559 0.73 KDM4E (0.50) MAPKAPK2MEN1KMT2AGSK3BCCNB2

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 1/4885MEN1 2117/4885KMT2A 1226/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885MEN1 2117/4885KMT2A 1226/4885

“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.