SCHEMBL1383587

SCHEMBL1383587

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NC2CCCCC2C)c1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.56
MAPK11 Q15759 3/20 0.56
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TAS1R3 Q7RTX0 9/20 0.46
TAS1R2 Q8TE23 8/20 0.46
TAS1R1 Q7RTX1 8/20 0.46
KIT P10721 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FPR1 P21462 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
SCHEMBL1416913 0.91 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1386646 0.90 MAPK14 (0.61) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1386388 0.90 MAPK14 (0.66) MAPK14MAPK11CYP3A4CYP2C9KIT
SCHEMBL1384571 0.88 MAPK14 (0.61) MAPK14MAPK11CYP3A4CYP2C9KMT2A
SCHEMBL2214153 0.86 MAPK14 (0.45) MAPK14MAPK11CYP3A4CYP2C9TAS1R3
SCHEMBL1417448 0.85 MAPK14 (0.54) MAPK14MAPK11CYP3A4CYP2C9TSHR
SCHEMBL12936169 0.85 MAPK14 (0.54) MAPK14MAPK11CYP3A4CYP2C9TSHR
SCHEMBL14823447 0.85 MAPK14 (0.62) MAPK14MAPK11CYP3A4CYP2C9
SCHEMBL11996594 0.85 TAS1R3 (0.45) MAPK14MAPK11TAS1R3TAS1R2TAS1R1
SCHEMBL1382646 0.85 MAPK14 (0.57) MAPK14MAPK11CYP3A4CYP2C9KIT

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 21 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
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
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
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
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
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 40/4885CYP3A4 2339/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 40/4885CYP3A4 2339/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885MAPK11 38/4885CYP3A4 2146/4885

“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.