SCHEMBL1346384

SCHEMBL1346384

NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)NCCN)cs3)cc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.57
MAPK1 P28482 4/20 0.48
MAP2K1 Q02750 3/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1345690 0.96 MAPKAPK2 (0.54) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1343654 0.95 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1343972 0.94 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1343948 0.94 MAPKAPK2 (0.56) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1346188 0.93 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1345281 0.93 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1345592 0.93 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL4808641 0.93 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1345648 0.92 MAPKAPK2 (0.51) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B
SCHEMBL1345413 0.92 MAPKAPK2 (0.57) MAPKAPK2MAPK1MAP2K1ITGB3ITGA2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 MAPKAPK2 1/4885MAPK1 47/4885MAP2K1 67/4885

“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.