SCHEMBL1938046

SCHEMBL1938046

NC(=O)c1cc(Cl)c(NC2CCC(N)CC2)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.52
▸ ROCK1 Q13464 1/20 0.52
▸ CHEK1 O14757 3/20 0.44
▸ MAPKAPK2 P49137 3/20 0.44
▸ BTK Q06187 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ LCK P06239 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ TSSK2 Q96PF2 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ KIT P10721 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ FER P16591 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ CCNT1 O60563 2/20 0.41
▸ SYK P43405 4/20 0.40
▸ MELK Q14680 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CDK9 P50750 1/20 0.40

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
SCHEMBL1938044 1.00 ROCK2 (0.52) ROCK2ROCK1CHEK1MAPKAPK2BTK
SCHEMBL13463625 0.88 ROCK2 (0.43) ROCK2ROCK1JAK2KITFLT3
SCHEMBL1937080 0.87 ROCK2 (0.69) ROCK2ROCK1CHEK1MAPKAPK2BTK
SCHEMBL1937083 0.87 ROCK2 (0.69) ROCK2ROCK1CHEK1MAPKAPK2BTK
Hydrochloric Acid SCHEMBL1936212 0.86 ROCK2 (0.67) ROCK2ROCK1CHEK1MAPKAPK2BTK
Hydrochloric Acid SCHEMBL1936213 0.86 ROCK2 (0.67) ROCK2ROCK1CHEK1MAPKAPK2BTK
SCHEMBL2176955 0.84 ROCK2 (0.75) ROCK2ROCK1CHEK1MAPKAPK2BTK
SCHEMBL2176952 0.84 ROCK2 (0.75) ROCK2ROCK1CHEK1MAPKAPK2BTK
SCHEMBL1936989 0.81 ROCK2 (0.58) ROCK2ROCK1CHEK1MAPKAPK2BTK
SCHEMBL1936988 0.81 ROCK2 (0.58) ROCK2ROCK1CHEK1MAPKAPK2BTK

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 1/4885CHEK1 1873/4885

“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.

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