Sugi Predict

Sugi Predict / Compounds / SCHEMBL4460801

SCHEMBL4460801

SCHEMBL4460801

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(N3CCN(C(=O)C(C)(C)C)CC3)c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 14/20 0.59
▸ MAPK12 P53778 10/20 0.59
▸ MAPK13 O15264 5/20 0.59
▸ MAPK11 Q15759 5/20 0.59
▸ DDR2 Q16832 2/20 0.59
▸ HCK P08631 4/20 0.54
▸ TNF P01375 3/20 0.54
▸ ABL1 P00519 2/20 0.54
▸ RAF1 P04049 2/20 0.54
▸ LYN P07948 2/20 0.54
▸ SRC P12931 2/20 0.54
▸ MAPK9 P45984 2/20 0.54
▸ CIT O14578 1/20 0.54
▸ MUSK O15146 1/20 0.54
▸ MAP3K7 O43318 1/20 0.54
▸ RIPK2 O43353 1/20 0.54
▸ STK10 O94804 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ EGFR P00533 1/20 0.54

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
SCHEMBL4460632 0.97 MAPK14 (0.56) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3174250 0.85 MAPK14 (0.56) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3392860 0.84 MAPK14 (0.60) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3392557 0.83 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3392559 0.83 MAPK14 (0.58) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3390650 0.82 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3392475 0.81 MAPK14 (0.56) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL2953791 0.81 MAPK14 (0.74) MAPK14MAPK12MAPK13MAPK11MAPK9
SCHEMBL3392902 0.81 MAPK14 (0.52) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL3875501 0.80 MAPK14 (0.61) 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 4 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
EP-1943244-A1 PYRAZOLE-ISOQUINOLINE UREA DERIVATIVES AS P38 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-07-16 — — EP disclosed
WO-2007053346-A1 PYRAZOLE-ISOQUINOLINE UREA DERIVATIVES AS P38 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 — — 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 (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.