SCHEMBL4789848

SCHEMBL4789848

O=C(O)NCc1nc(-c2c[nH]c3ncccc23)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.59
PDPK1 O15530 3/20 0.58
CYP3A4 P08684 7/20 0.48
CDC7 O00311 5/20 0.47
DBF4 Q9UBU7 3/20 0.47
CAMKK2 Q96RR4 1/20 0.47
CDK2 P24941 3/20 0.47
GSK3B P49841 3/20 0.47
CDK5 Q00535 3/20 0.47
JAK2 O60674 2/20 0.47
FLT3 P36888 2/20 0.47
JAK3 P52333 2/20 0.47
IRAK4 Q9NWZ3 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK5R1 Q15078 2/20 0.47
RPS6KA3 P51812 2/20 0.47
PRKCQ Q04759 2/20 0.47
DYRK1A Q13627 2/20 0.47
CIT O14578 1/20 0.47
MAP3K7 O43318 1/20 0.47

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
SCHEMBL4789857 0.85 PDPK1 (0.58) ROCK1PDPK1CYP3A4CDK2GSK3B
SCHEMBL13306445 0.84 PDPK1 (0.53) ROCK1PDPK1CYP3A4CDC7CDK2
SCHEMBL23163201 0.82 ROCK1 (0.61) ROCK1PDPK1CYP3A4CAMKK2CDK2
SCHEMBL4789520 0.81 PDPK1 (0.58) ROCK1PDPK1CDC7CDK2GSK3B
SCHEMBL4789114 0.80 ROCK1 (0.61) ROCK1PDPK1CYP3A4GSK3BCDK5
SCHEMBL5112575 0.79 ROCK1 (0.53) ROCK1PDPK1CYP3A4CDC7CAMKK2
SCHEMBL4789558 0.78 CYP3A4 (0.62) ROCK1PDPK1CYP3A4CDK2GSK3B
SCHEMBL23163147 0.76 CDK9 (0.57) ROCK1PDPK1CDC7DBF4CDK2
SCHEMBL23163163 0.76 ROCK1 (0.55) ROCK1PDPK1CYP3A4CDK2GSK3B
SCHEMBL23163165 0.76 ROCK1 (0.55) ROCK1PDPK1CYP3A4CDK2GSK3B

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
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 1/4885PDPK1 382/4885CYP3A4 4367/4885

“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.