SCHEMBL3603815

SCHEMBL3603815

CCCOc1cccc(CNC(=O)N2CC=C(c3cnc4[nH]ccc4c3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 7/20 0.49
ROCK1 Q13464 4/20 0.45
JAK2 O60674 2/20 0.45
MAP4K4 O95819 2/20 0.45
ROS1 P08922 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
KDR P35968 2/20 0.45
FLT3 P36888 2/20 0.45
MAP4K2 Q12851 2/20 0.45
NTRK3 Q16288 2/20 0.45
MINK1 Q8N4C8 2/20 0.45
AURKB Q96GD4 2/20 0.45
MAP4K5 Q9Y4K4 2/20 0.45
CHEK2 O96017 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
FES P07332 1/20 0.45
RET P07949 1/20 0.45
FER P16591 1/20 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
SCHEMBL3600660 0.88 ROCK1 (0.50) TNIKROCK1JAK2MAP4K4ROS1
SCHEMBL3601935 0.85 TNIK (0.42) TNIKROCK1JAK2MAP4K4ROS1
SCHEMBL3604802 0.82 ROCK1 (0.48) ROCK1MAP4K4FLT4KDRFLT3
SCHEMBL3603801 0.80 CCNT1 (0.48) TNIKROCK1ROCK2CHRNA7
SCHEMBL27819463 0.79 TNIK (0.50) TNIKROCK1MAP4K4FLT4KDR
SCHEMBL3610309 0.78 ROCK1 (0.60) ROCK1JAK2MAP4K4FLT4KDR
SCHEMBL3609665 0.77 CD274 (0.60) ROCK1JAK2MAP4K4ROS1FLT1
SCHEMBL3602313 0.75 PRKG1 (0.64) TNIKROCK1MAP4K4FLT4KDR
SCHEMBL3602589 0.71 ROCK1 (0.50) ROCK1MAP4K4FLT4KDRFLT3
SCHEMBL3595639 0.69 CDK9 (0.46) ROCK1MAP4K4FLT4KDRFLT3

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 1 patent. 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 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 TNIK 469/4885ROCK1 1/4885JAK2 239/4885

“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.