SCHEMBL5115936

SCHEMBL5115936

O=C(O)NC(Cc1ccccc1)c1nc(-c2c[nH]c3ncccc23)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.46
CAMKK2 Q96RR4 2/20 0.45
F11 P03951 1/20 0.44
KLKB1 P03952 1/20 0.44
CDC7 O00311 6/20 0.44
ADORA2A P29274 1/20 0.43
DBF4 Q9UBU7 2/20 0.43
AKT1 P31749 4/20 0.43
CDK2 P24941 5/20 0.42
CHEK1 O14757 3/20 0.42
ROCK2 O75116 3/20 0.42
PIM1 P11309 3/20 0.42
FGFR1 P11362 3/20 0.42
PRKACA P17612 3/20 0.42
FLT3 P36888 3/20 0.42
GSK3B P49841 3/20 0.42
JAK3 P52333 3/20 0.42
HIPK2 Q9H2X6 3/20 0.42
IRAK4 Q9NWZ3 3/20 0.42
AKT3 Q9Y243 3/20 0.42

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
SCHEMBL505088 0.80 KLKB1 (0.49) F11KLKB1
SCHEMBL393271 0.78 F11 (0.65) F11KLKB1
SCHEMBL5115939 0.73 CAMKK2 (0.46) ROCK1CAMKK2CDC7ADORA2ADBF4
SCHEMBL5122984 0.73 CAMKK2 (0.51) ROCK1CAMKK2CDC7ADORA2ADBF4
SCHEMBL14311088 0.71 CDC7 (0.48) ROCK1CAMKK2CDC7ADORA2ADBF4
SCHEMBL27724873 0.69 CYP1A2 (0.47)
SCHEMBL391686 0.69 CYP1A2 (0.47)
SCHEMBL5122988 0.69 CAMKK2 (0.51) ROCK1CAMKK2CDC7DBF4CDK2
SCHEMBL4789988 0.67 PDPK1 (0.49) ROCK1CAMKK2CDC7CDK2ROCK2
SCHEMBL392214 0.67 CYP1A2 (0.45) F11KLKB1ADORA2AMAPK1

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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ROCK1 1/4885CAMKK2 87/4885F11 2475/4885

“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.