SCHEMBL4473489

SCHEMBL4473489

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
TSHR P16473 4/20 0.58
HTT P42858 4/20 0.58
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
THRB P10828 1/20 0.54
USP2 O75604 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPY2R P49146 1/20 0.51

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
SCHEMBL13872064 0.90 POLB (0.68) POLBTSHRHTTTP53SMN1; SMN2
SCHEMBL18418319 0.86 PARP1 (0.58) POLBTSHRHTTTP53
SCHEMBL13872061 0.85 POLB (0.64) POLBTSHRTP53KDM4EL3MBTL1
SCHEMBL1222509 0.84 POLB (0.62) POLBTSHRTP53SMN1; SMN2ALDH1A1
SCHEMBL12631925 0.84 POLB (0.47) POLBTSHRHTTTP53ALDH1A1
SCHEMBL3089588 0.83 MEN1 (0.52) POLBTP53SMN1; SMN2LMNAMAPT
SCHEMBL25933 0.83 POLB (0.58) POLBMEN1KMT2ANPY2R
SCHEMBL2846468 0.83 KDM4E (0.55) POLBHTTTP53SMN1; SMN2KDM4E
SCHEMBL3151354 0.83 POLB (0.61) POLBHTTTP53LMNATHRB
SCHEMBL223688 0.83 POLB (0.61) POLBHTTTP53SMN1; SMN2ALDH1A1

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 POLB 2954/4885TSHR 685/4885HTT 3814/4885

“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.