SCHEMBL4471507

SCHEMBL4471507

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(OC3CCN(C(=O)OC(C)(C)C)CC3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.53
MAPK12 P53778 11/20 0.53
MAPK13 O15264 4/20 0.53
MAPK11 Q15759 4/20 0.53
DDR2 Q16832 2/20 0.53
HCK P08631 5/20 0.51
SRC P12931 5/20 0.51
TNF P01375 4/20 0.51
BRAF P15056 3/20 0.51
ABL1 P00519 2/20 0.51
RAF1 P04049 2/20 0.51
LYN P07948 2/20 0.51
MAPK9 P45984 2/20 0.51
CIT O14578 1/20 0.51
MUSK O15146 1/20 0.51
MAP3K7 O43318 1/20 0.51
RIPK2 O43353 1/20 0.51
STK10 O94804 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51

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
SCHEMBL4480498 0.93 MAPK14 (0.47) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL13708149 0.91 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL4461487 0.89 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL4466421 0.88 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL4470366 0.87 MAPK14 (0.57) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL5481105 0.82 MAPK14 (0.51) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL4468222 0.82 MAPK14 (0.49) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3180524 0.82 MAPK14 (0.50) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL13791926 0.82 MAPK14 (0.58) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3182691 0.80 MAPK14 (0.55) MAPK14MAPK12MAPK13MAPK11DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582638-B2 Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis ELI LILLY AND COMPANY 2008-11-06 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 (1 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-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis CNKSR1, CHUK, SLC14A1 MAPK14 72/4885MAPK12 186/4885MAPK13 69/4885

“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.