SCHEMBL3602313

SCHEMBL3602313

COc1cccc([C@@H](C)NC(=O)N2CC=C(c3cnc4[nH]ccc4c3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKG1 Q13976 4/20 0.64
PLK4 O00444 1/20 0.64
CHEK1 O14757 1/20 0.64
AURKA O14965 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
CHEK2 O96017 1/20 0.64
PRKCG P05129 1/20 0.64
CDK1 P06493 1/20 0.64
RET P07949 1/20 0.64
PIM1 P11309 1/20 0.64
FGFR1 P11362 1/20 0.64
PRKACA P17612 1/20 0.64
RPS6KB1 P23443 1/20 0.64
CDK2 P24941 1/20 0.64
MARK3 P27448 1/20 0.64
MAPK1 P28482 1/20 0.64
AKT1 P31749 1/20 0.64
AKT2 P31751 1/20 0.64
FLT4 P35916 1/20 0.64

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
SCHEMBL27819463 0.87 TNIK (0.50) PRKG1PLK4CHEK1AURKAPRKD3
SCHEMBL3596197 0.83 PRKG1 (0.79) PRKG1PLK4CHEK1AURKAPRKD3
SCHEMBL3614343 0.78 PRKG1 (1.00) PRKG1PLK4CHEK1AURKAPRKD3
SCHEMBL3608714 0.75 ROCK1 (0.46) PRKG1PLK4CHEK1AURKAPRKD3
SCHEMBL3603815 0.75 TNIK (0.49) PLK4MAP4K4CHEK2PRKCGCDK1
SCHEMBL18129636 0.73 CHEK1 (0.67) PRKG1PLK4CHEK1AURKAPRKD3
SCHEMBL3603801 0.72 CCNT1 (0.48) ROCK1ROCK2TNIK
SCHEMBL15664109 0.72 KIT (1.00) PRKG1PLK4CHEK1AURKAPRKD3
SCHEMBL3607698 0.71 MAPK1 (0.42) PRKG1PLK4CHEK1MAP4K4CHEK2
SCHEMBL3600660 0.70 ROCK1 (0.50) PLK4AURKAMAP4K4CHEK2PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US claimed
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 PRKG1 40/4885PLK4 616/4885CHEK1 434/4885

“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.