SCHEMBL1937613

SCHEMBL1937613

COc1nc(NC2CCC(N(Cc3ccccc3)C(=O)O)CC2)c(F)cc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.64
ROCK1 Q13464 1/20 0.64
SMYD3 Q9H7B4 3/20 0.39
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SYK P43405 6/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MAPT P10636 1/20 0.37
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
DRD2 P14416 1/20 0.35
AGER Q15109 1/20 0.35

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
SCHEMBL1937611 1.00 ROCK2 (0.64) ROCK2ROCK1SMYD3DPP4DPP9
SCHEMBL2180170 0.90 ROCK2 (0.50) ROCK2ROCK1SMYD3SYKMAPK8
SCHEMBL2180175 0.90 ROCK2 (0.50) ROCK2ROCK1SMYD3SYKMAPK8
SCHEMBL1937803 0.85 ROCK2 (0.44) ROCK2ROCK1SMYD3DPP4DPP9
SCHEMBL1937804 0.85 ROCK2 (0.44) ROCK2ROCK1SMYD3DPP4DPP9
SCHEMBL3622725 0.84 ROCK2 (0.73) ROCK2ROCK1SYKKITFLT3
SCHEMBL1938207 0.82 ROCK2 (0.78) ROCK2ROCK1SYKKITFLT3
SCHEMBL1938209 0.82 ROCK2 (0.78) ROCK2ROCK1SYKKITFLT3
SCHEMBL1937783 0.81 ROCK2 (0.69) ROCK2ROCK1SYKKITFLT3
SCHEMBL1937784 0.81 ROCK2 (0.69) ROCK2ROCK1SYKKITFLT3

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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885SMYD3 1044/4885

“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.