SCHEMBL1417307

SCHEMBL1417307

COc1cccc(CNC(=O)c2cnn(-c3cc(C(=O)NC4CC4)ccc3C)c2N)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.61
MAPK11 Q15759 4/20 0.56
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 4/20 0.47
BRD4 O60885 1/20 0.46
MMP13 P45452 1/20 0.46
DRD4 P21917 1/20 0.46
RAB9A P51151 1/20 0.45
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
TP53 P04637 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
SCHEMBL1417227 0.91 MAPK14 (0.61) MAPK14MAPK11BRD4RAB9ATP53
SCHEMBL1384865 0.89 MAPK14 (0.70) MAPK14MAPK11HPGD
SCHEMBL1417321 0.89 MAPK14 (0.51) MAPK14MAPK11MMP13TP53
SCHEMBL1383938 0.89 MAPK14 (0.58) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL2214420 0.88 MAPK14 (0.56) MAPK14MAPK11ROCK2ROCK1MMP13
SCHEMBL1385285 0.87 MAPK14 (0.54) MAPK14MAPK11ALDH1A1
SCHEMBL1416977 0.86 MAPK14 (0.56) MAPK14MAPK11DRD4
SCHEMBL1384750 0.84 MAPK14 (0.59) MAPK14MAPK11ROCK2ROCK1
SCHEMBL1417139 0.84 MAPK14 (0.63) MAPK14MAPK11
SCHEMBL1417370 0.83 MAPK14 (0.59) MAPK14MAPK11KDM4EALDH1A1HPGD

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-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 US claimed
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
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-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
EP-2298743-B1 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2012-08-22 EP disclosed
EP-2298743-B1 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2012-08-22 EP 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
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
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US disclosed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 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 (4 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-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 38/4885KDM4E 4095/4885
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.