SCHEMBL1343706

SCHEMBL1343706

NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3nc(C(=O)Nc4cccnc4)cs3)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
MAPK1 P28482 4/20 0.41
MAP2K1 Q02750 3/20 0.41
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL1346105 0.91 POLB (0.48) MAPKAPK2MAPK1MAP2K1
SCHEMBL1345394 0.89 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1NAMPTLMNA
SCHEMBL1344250 0.88 KMT2A (0.50) MAPKAPK2MAPK1MAP2K1DYRK3CLK1
SCHEMBL1345732 0.87 MAPKAPK2 (0.45) MAPKAPK2MAPK1MAP2K1
SCHEMBL1345724 0.85 MAPKAPK2 (0.52) MAPKAPK2MAPK1MAP2K1LMNANPC1
SCHEMBL1346384 0.85 MAPKAPK2 (0.57) MAPKAPK2MAPK1MAP2K1LMNA
SCHEMBL1345648 0.84 MAPKAPK2 (0.51) MAPKAPK2MAPK1MAP2K1LMNANPC1
SCHEMBL1346907 0.84 MAPKAPK2 (0.47) MAPKAPK2MAPK1MAP2K1LMNANPC1
SCHEMBL1345690 0.84 MAPKAPK2 (0.54) MAPKAPK2MAPK1MAP2K1
SCHEMBL1343653 0.84 MAPKAPK2 (0.49) 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 6 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-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 1/4885PIM1 408/4885PIM3 806/4885

“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.