SCHEMBL4464188

SCHEMBL4464188

COC1(c2cc(NC(N)=O)n(-c3ccc(C)cc3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.58
KCNJ6 P48051 5/20 0.49
KCNJ5 P48544 5/20 0.49
KCNJ3 P48549 5/20 0.49
MAPK14 Q16539 10/20 0.42
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 3/20 0.40
BRAF P15056 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR3C2 P08235 1/20 0.39
HCK P08631 1/20 0.39

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
SCHEMBL4470729 0.81 KCNJ6 (0.43) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL4471861 0.77 RAB9A (0.50) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL27741487 0.74 KCNJ6 (0.73) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL15720178 0.74 CDK8 (0.67) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL19303194 0.74 CDK8 (1.00) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL15517839 0.74 CDK8 (0.67) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL21436480 0.69 CDK8 (0.79) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL29397706 0.68 KCNJ6 (0.70) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL3180026 0.68 KCNJ6 (0.51) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL3185815 0.68 KCNJ6 (0.57) CDK8KCNJ6KCNJ5KCNJ3MAPK14

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 CDK8 244/4885KCNJ6 1986/4885KCNJ5 2326/4885

“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.