SCHEMBL2992182

SCHEMBL2992182

NCC1Cc2c([nH]c3ccc(C(=O)O)cc23)C(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.63
KMT2A Q03164 2/20 0.46
GSK3B P49841 3/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
PARP1 P09874 2/20 0.43
CDK5 Q00535 2/20 0.42
GSK3A P49840 1/20 0.42
CDK5R1 Q15078 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLK4 O00444 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL13248590 0.89 MAPKAPK2 (0.64) MAPKAPK2KMT2AGSK3BCCNB2CDK1
SCHEMBL13268148 0.79 MAPKAPK2 (0.68) MAPKAPK2KMT2AL3MBTL1MAPK1MEN1
SCHEMBL2997900 0.78 MAPKAPK2 (1.00) MAPKAPK2MAPK1ALDH1A1
SCHEMBL2992197 0.78 MAPKAPK2 (0.75) MAPKAPK2KMT2AMAPK1
SCHEMBL2995014 0.78 MAPKAPK2 (1.00) MAPKAPK2MAPK1
Trifluoroacetic Acid SCHEMBL1658738 0.78 MAPKAPK2 (0.56) MAPKAPK2KMT2AGSK3BCCNB2CDK1
Hydrochloric Acid SCHEMBL1656605 0.78 MAPKAPK2 (0.56) MAPKAPK2KMT2AGSK3BCCNB2CDK1
SCHEMBL2990205 0.76 MAPKAPK2 (0.62) MAPKAPK2KMT2AGSK3BCCNB2CDK1
SCHEMBL3001660 0.76 MAPKAPK2 (0.71) MAPKAPK2MAPTKDRKDM4EALDH1A1
SCHEMBL13248595 0.72 MAPKAPK2 (0.49) MAPKAPK2KMT2AGSK3BCCNB2CDK1

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 claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
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 1/4885KMT2A 1226/4885GSK3B 1242/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885KMT2A 1226/4885GSK3B 1242/4885

“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.