SCHEMBL1937553

SCHEMBL1937553

COC(=O)c1cc(F)c(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
BTK Q06187 6/20 0.44
KAT8 Q9H7Z6 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ATR Q13535 1/20 0.39
MERTK Q12866 1/20 0.39
PARP1 P09874 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
GAA P10253 1/20 0.37
JAK3 P52333 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL1937551 1.00 ROCK2 (0.45) ROCK2ROCK1BTKKAT8DRD2
SCHEMBL1937562 0.91 BTK (0.45) ROCK2ROCK1BTKKAT8DRD2
SCHEMBL1937563 0.91 BTK (0.45) ROCK2ROCK1BTKKAT8DRD2
SCHEMBL14910841 0.87 SYK (0.42) ROCK2ROCK1BTKATRJAK3
SCHEMBL14927559 0.87 SYK (0.42) ROCK2ROCK1BTKATRJAK3
SCHEMBL14910843 0.87 SYK (0.42) ROCK2ROCK1BTKATRJAK3
SCHEMBL17841735 0.77 SYK (0.40) ROCK2ROCK1BTKJAK3
SCHEMBL14909358 0.77 SYK (0.42) ROCK2ROCK1BTKJAK3
SCHEMBL14909359 0.77 SYK (0.42) ROCK2ROCK1BTKJAK3
SCHEMBL14927551 0.77 SYK (0.42) ROCK2ROCK1BTKJAK3

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 3 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
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO 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 1/4885BTK 500/4885

“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.