SCHEMBL1384571

SCHEMBL1384571

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NC2CCC(C)CC2)c1N

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.61
MAPK11 Q15759 4/20 0.61
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
BRD4 O60885 1/20 0.45
RIPK2 O43353 1/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 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
SCHEMBL1386388 0.96 MAPK14 (0.66) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL1416913 0.93 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL1386646 0.92 MAPK14 (0.61) MAPK14MAPK11POLBCYP3A4CYP2C9
SCHEMBL14823447 0.91 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL1384534 0.89 MAPK14 (0.63) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL1417204 0.89 MAPK14 (0.61) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL1416987 0.89 MAPK14 (0.58) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL1383587 0.88 MAPK14 (0.56) MAPK14MAPK11CYP3A4CYP2C9KMT2A
SCHEMBL1385115 0.88 MAPK14 (0.59) MAPK14MAPK11CYP3A4CYP2C9RIPK2
SCHEMBL11965711 0.87 MAPK14 (0.56) MAPK14MAPK11CYP3A4CYP2C9RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP claimed
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-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

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 40/4885TP53 1327/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 40/4885TP53 1327/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 38/4885TP53 1242/4885

“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.