SCHEMBL4464217

SCHEMBL4464217

CC(C)(C)OC(=O)N1CCC(Oc2ncc([N+](=O)[O-])c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.50
PIK3CD O00329 1/20 0.45
MET P08581 1/20 0.43
KDM1A O60341 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
SCHEMBL4606589 0.85 SCD (0.40)
SCHEMBL4470775 0.83 GPR119 (0.51) GPR119PIK3CDKDM1A
SCHEMBL14335007 0.82 GPR119 (0.53) GPR119
SCHEMBL4471364 0.82 GPR119 (0.43) GPR119
SCHEMBL13708138 0.82 SCD (0.42)
SCHEMBL70414 0.80 KDM1A (0.53) GPR119KDM1A
SCHEMBL4461393 0.79 MAPT (0.51)
SCHEMBL19284559 0.78 PDE4B (0.46) GPR119KDM1A
SCHEMBL4094373 0.78 KDM1A (0.49) GPR119KDM1A
SCHEMBL2800319 0.78 PIK3CD (0.59) GPR119PIK3CD

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 GPR119 584/4885PIK3CD 974/4885MET 946/4885

“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.