SCHEMBL1345394

SCHEMBL1345394

NCCCc1c(C(=O)O)[nH]c2ccc(C(=O)Nc3cccnc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.52
MAPK1 P28482 1/20 0.49
MAP2K1 Q02750 1/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NAMPT P43490 6/20 0.46
NPC1 O15118 2/20 0.46
TRPV1 Q8NER1 6/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1343706 0.89 MAPKAPK2 (0.44) MAPKAPK2MAPK1MAP2K1CYP11B1CYP11B2
SCHEMBL1345355 0.89 MAPT (0.54) MAPKAPK2
SCHEMBL2993892 0.88 HTR6 (0.49) MAPKAPK2MAPK1MAP2K1NPC1TRPV1
SCHEMBL1345168 0.88 POLB (0.56) MAPKAPK2NPC1RAB9A
Acetic Acid SCHEMBL1345951 0.86 MAPT (0.54) MAPKAPK2
SCHEMBL1345627 0.84 MAPT (0.57) MAPKAPK2NPC1LMNARAB9A
SCHEMBL1345415 0.83 MAPKAPK2 (0.47) MAPKAPK2MAPK1NPC1RAB9A
SCHEMBL4784285 0.83 TP53 (0.55) MAPKAPK2NPC1LMNARAB9A
SCHEMBL1345311 0.82 PRNP (0.47) MAPKAPK2RAB9A
SCHEMBL1343642 0.81 TP53 (0.56) NPC1RAB9A

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 7 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

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.