SCHEMBL1854438

SCHEMBL1854438

COc1ccc(CNC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.65
PIM1 P11309 4/20 0.65
PRKACA P17612 4/20 0.65
CLK2 P49760 4/20 0.65
GSK3B P49841 4/20 0.65
DYRK1A Q13627 4/20 0.65
CDK2 P24941 4/20 0.65
CHEK1 O14757 3/20 0.65
CDK5 Q00535 3/20 0.65
PRKAA1 Q13131 3/20 0.65
ROCK1 Q13464 3/20 0.65
CLK4 Q9HAZ1 3/20 0.65
PRKX P51817 3/20 0.65
FLT3 P36888 3/20 0.65
MAP4K2 Q12851 3/20 0.65
STK3 Q13188 3/20 0.65
PKN2 Q16513 3/20 0.65
HIPK2 Q9H2X6 3/20 0.65
STK17A Q9UEE5 3/20 0.65
MAP4K5 Q9Y4K4 3/20 0.65

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
SCHEMBL1851228 0.92 CDK9 (0.68) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1850762 0.91 CHEK1 (0.65) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL27819456 0.91 CDK9 (0.64) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1851852 0.91 ROCK1 (0.71) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1849976 0.89 CHEK1 (0.69) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1850935 0.89 CHEK1 (0.59) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1848237 0.88 CHEK1 (0.64) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1850294 0.88 CHEK1 (0.64) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1853607 0.88 CHEK1 (0.64) MAP4K4PIM1PRKACACLK2GSK3B
SCHEMBL1850620 0.88 CHEK1 (0.64) MAP4K4PIM1PRKACACLK2GSK3B

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 MAP4K4 105/4885PIM1 820/4885PRKACA 95/4885

“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.