SCHEMBL2276121

SCHEMBL2276121

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CN[C@@H](CC(C)C)C(=O)OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.37
HIF1A Q16665 3/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ANPEP P15144 2/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
ROCK1 Q13464 1/20 0.33
BACE1 P56817 3/20 0.33
CYP19A1 P11511 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL2276126 1.00 NPR3 (0.37) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL14204461 0.89 HIF1A (0.38) HIF1AAAK1ROCK1BACE1CYP19A1
SCHEMBL2282145 0.86 MAPK14 (0.41) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2282138 0.86 MAPK14 (0.41) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2282216 0.83 MAPK14 (0.40) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2282213 0.83 MAPK14 (0.40) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2278681 0.81 MAPK14 (0.45) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2278687 0.81 MAPK14 (0.45) NPR3HIF1AMAPK14MAPK13MAPK12
SCHEMBL2276175 0.80 MAPK14 (0.45) NPR3MAPK14MAPK13MAPK12MAPK11
SCHEMBL2276180 0.80 MAPK14 (0.45) NPR3MAPK14MAPK13MAPK12MAPK11

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
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 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 (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-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS IRAK3, IKBKE, IRAK1 NPR3 378/4885HIF1A 2523/4885MAPK14 654/4885

“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.