SCHEMBL5115939

SCHEMBL5115939

O=C(O)N(Cc1ccccc1)Cc1nc(-c2c[nH]c3ncccc23)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.46
CDC7 O00311 7/20 0.46
CDK2 P24941 5/20 0.46
ROCK2 O75116 5/20 0.46
PIM1 P11309 3/20 0.46
PRKACA P17612 3/20 0.46
GSK3B P49841 3/20 0.46
HIPK2 Q9H2X6 3/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
ROCK1 Q13464 2/20 0.46
DBF4 Q9UBU7 2/20 0.45
DYRK1A Q13627 3/20 0.43
PLK4 O00444 2/20 0.43
CHEK1 O14757 2/20 0.43
JAK2 O60674 2/20 0.43
EGFR P00533 2/20 0.43
CSF1R P07333 2/20 0.43
RET P07949 2/20 0.43
FGFR1 P11362 2/20 0.43
TYK2 P29597 2/20 0.43

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
SCHEMBL5122984 0.79 CAMKK2 (0.51) CAMKK2CDC7CDK2ROCK2PIM1
SCHEMBL14311088 0.78 CDC7 (0.48) CAMKK2CDC7CDK2ROCK2PIM1
SCHEMBL505089 0.78 SMN1; SMN2 (0.47) ROCK2GRK2
SCHEMBL4789988 0.76 PDPK1 (0.49) CAMKK2CDC7CDK2ROCK2PIM1
SCHEMBL5122988 0.75 CAMKK2 (0.51) CAMKK2CDC7CDK2ROCK2PIM1
SCHEMBL14289641 0.74 JAK3 (0.47) CAMKK2CDC7CDK2ROCK2PIM1
SCHEMBL5115936 0.73 ROCK1 (0.46) CAMKK2CDC7CDK2ROCK2PIM1
SCHEMBL5117005 0.71 TSHR (0.45) CAMKK2ROCK2PIM1PRKACAGSK3B
SCHEMBL14289640 0.69 ADORA2A (0.44) CAMKK2CDC7ROCK2ROCK1DBF4
SCHEMBL5122742 0.69 ROCK2 (0.45) CAMKK2CDC7CDK2ROCK2PIM1

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 CAMKK2 87/4885CDC7 157/4885CDK2 159/4885

“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.