SCHEMBL4470775

SCHEMBL4470775

CC(C)(C)OC(=O)N1CCC(Oc2ncc(N)c3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.51
KDM1A O60341 1/20 0.48
PIK3CD O00329 3/20 0.47
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45

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
SCHEMBL4464217 0.83 GPR119 (0.50) GPR119KDM1APIK3CD
SCHEMBL29862872 0.81 GPR119 (0.51) GPR119PIK3CD
SCHEMBL2800319 0.81 PIK3CD (0.59) GPR119PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5462197 0.81 GPR119 (0.51) GPR119PIK3CD
SCHEMBL14335009 0.81 GPR119 (0.54) GPR119KDM1APIK3CD
SCHEMBL1776249 0.81 KDM1A (0.55) GPR119KDM1A
SCHEMBL4461389 0.80 GPR119 (0.45) GPR119
SCHEMBL3390496 0.78 PIK3CD (0.50) GPR119PIK3CDPIK3CA
SCHEMBL4471844 0.77 MEN1 (0.46)
SCHEMBL19030458 0.77 KDM1A (0.56) GPR119KDM1A

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 9 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-7582638-B2 Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
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
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
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
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 584/4885KDM1A 401/4885PIK3CD 974/4885

“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.