SCHEMBL4468019

SCHEMBL4468019

Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)N(OS(C)(=O)=O)c2cnc(OC3CCN(C(=O)C4(C)CC4)CC3)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 7/20 0.41
KCNJ5 P48544 7/20 0.41
KCNJ3 P48549 7/20 0.41
MAPK14 Q16539 9/20 0.40
MAPK12 P53778 3/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
GPR119 Q8TDV5 2/20 0.36
MAPK13 O15264 3/20 0.34
MAPK11 Q15759 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SYK P43405 1/20 0.32

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
SCHEMBL4468014 0.86 MAPK14 (0.51) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL4466608 0.83 MAPK14 (0.53) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL4466152 0.80 GPR119 (0.36) MAPK14MAPK12HCKSRCGPR119
SCHEMBL4466150 0.79 MAPK14 (0.42) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL4481650 0.77 MAPK14 (0.37) MAPK14MAPK12HCKSRCGPR119
SCHEMBL4467863 0.75 MAPK14 (0.44) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL4466421 0.74 MAPK14 (0.52) MAPK14MAPK12HCKSRCMAPK13
SCHEMBL3387984 0.74 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL4461487 0.74 MAPK14 (0.51) KCNJ6KCNJ5KCNJ3MAPK14MAPK12
SCHEMBL13708144 0.72 MAPK14 (0.57) KCNJ6KCNJ5KCNJ3MAPK14MAPK12

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 KCNJ6 1986/4885KCNJ5 2326/4885KCNJ3 1667/4885

“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.