SCHEMBL1417255

SCHEMBL1417255

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NCc2ccccn2)c1N

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.56
MAPK11 Q15759 6/20 0.56
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL1384865 0.88 MAPK14 (0.70) MAPK14MAPK11
SCHEMBL1417370 0.87 MAPK14 (0.59) MAPK14MAPK11KDM4ELMNADRD4
SCHEMBL2218498 0.87 MAPK14 (0.46) MAPK14MAPK11KDM4EDRD4
SCHEMBL1417201 0.85 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1386388 0.84 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPK12
SCHEMBL14823447 0.84 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1417032 0.83 MAPK14 (0.51) MAPK14MAPK11KDM4ENPC1DRD4
SCHEMBL1417139 0.83 MAPK14 (0.63) MAPK14MAPK11LMNA
SCHEMBL1383938 0.82 MAPK14 (0.58) MAPK14MAPK11LMNA
SCHEMBL1416972 0.82 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP disclosed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP disclosed
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 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 (3 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-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 40/4885KDM4E 4177/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 40/4885KDM4E 4177/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 38/4885KDM4E 4095/4885

“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.