SCHEMBL1850504

SCHEMBL1850504

CCOc1ccccc1CNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.59
MAP4K4 O95819 3/20 0.59
PIM1 P11309 3/20 0.59
PRKACA P17612 3/20 0.59
CLK2 P49760 3/20 0.59
GSK3B P49841 3/20 0.59
CDK5 Q00535 3/20 0.59
PRKAA1 Q13131 3/20 0.59
ROCK1 Q13464 3/20 0.59
DYRK1A Q13627 3/20 0.59
CLK4 Q9HAZ1 3/20 0.59
CDK9 P50750 3/20 0.59
KDR P35968 2/20 0.59
PRKX P51817 2/20 0.59
DAPK3 O43293 1/20 0.59
MAP2K2 P36507 1/20 0.59
MAPK8 P45983 1/20 0.59
CSNK1A1 P48729 1/20 0.59
CDK8 P49336 1/20 0.59
CDK7 P50613 1/20 0.59

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
SCHEMBL1852708 0.92 CDK9 (0.60) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1851509 0.88 CHEK1 (0.62) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1852346 0.87 CHEK1 (0.58) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1853760 0.86 CHEK1 (0.62) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL3604253 0.86 CHEK1 (0.62) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1850377 0.86 CHEK1 (0.62) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1849796 0.86 CHEK1 (0.62) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1849976 0.85 CHEK1 (0.69) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1850762 0.83 CHEK1 (0.65) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1848432 0.83 CHEK1 (0.61) CHEK1MAP4K4PIM1PRKACACLK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP claimed
WO-2010017150-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 WO claimed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US claimed
CN-102170883-A Compounds useful as inhibitors of protein kinases ABBOTT LAB 2011-08-31 CN disclosed
EP-2323659-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-05-25 EP disclosed
WO-2010017150-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 WO disclosed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 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-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA CHEK1 434/4885MAP4K4 105/4885PIM1 820/4885

“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.