SCHEMBL1382984

SCHEMBL1382984

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(OCc3ccccc3)c2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.53
MAPK11 Q15759 4/20 0.53
RIPK2 O43353 1/20 0.51
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
SMPD1 P17405 1/20 0.43
NPC1 O15118 1/20 0.43
GAK O14976 1/20 0.43
LCK P06239 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDGFRB P09619 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
EPHA5 P54756 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL1417180 0.91 MAPK14 (0.56) MAPK14MAPK11NPC1GAKLCK
SCHEMBL1417048 0.91 MAPK14 (0.47) MAPK14MAPK11RIPK2ALDH1A1
SCHEMBL1417219 0.90 HPGD (0.54) MAPK14MAPK11RIPK2GAKLCK
SCHEMBL5794081 0.90 MAPK14 (0.44) MAPK14MAPK11RIPK2ALDH1A1GAA
SCHEMBL1385955 0.90 MAPK14 (0.51) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1417099 0.88 MAPK14 (0.50) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1417233 0.88 MAPK14 (0.50) MAPK14MAPK11GAKLCKCYP3A4
SCHEMBL1385285 0.88 MAPK14 (0.54) MAPK14MAPK11RIPK2ALDH1A1TSHR
SCHEMBL12936145 0.87 MAPK14 (0.53) MAPK14MAPK11RIPK2
SCHEMBL12514569 0.87 MAPK14 (0.46) MAPK14MAPK11RIPK2GAKLCK

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 40 patents — showing the first 20. 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
WO-2007096151-A2 INHIBITORS OF P38-KINASE FOR TREATMENT OF PULMONARY HYPERTENSION NOVARTIS AG (CH) 2007-08-30 WO claimed
JP-2007521278-A 2007-08-02 JP claimed
CN-1832928-A 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2006-09-13 CN claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 US claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
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-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US disclosed
WO-2007096151-A2 INHIBITORS OF P38-KINASE FOR TREATMENT OF PULMONARY HYPERTENSION NOVARTIS AG (CH) 2007-08-30 WO disclosed
CN-1832928-A 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2006-09-13 CN disclosed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP disclosed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 US disclosed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 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 (2 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 38/4885RIPK2 217/4885
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 40/4885RIPK2 201/4885

“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.