SCHEMBL4789868

SCHEMBL4789868

NC(=O)c1cc(-c2ccncc2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.54
CDK8 P49336 3/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
TP53 P04637 1/20 0.53
ALPL P05186 5/20 0.53
CA12 O43570 3/20 0.50
PLA2G10 O15496 3/20 0.50
RPA1 P27694 1/20 0.49
CHEK1 O14757 1/20 0.47
RET P07949 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
SCHEMBL13710596 0.88 SCN9A (0.55) CCNCCDK8HDAC3HDAC4HDAC1
SCHEMBL222852 0.84 TP53 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2789578 0.84 TP53 (0.74) TP53ALPLCA12RPA1CHEK1
SCHEMBL22414089 0.83 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL27639048 0.83 TP53 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2851890 0.82 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18726258 0.81 ACR (0.57) TP53ALPLCA12PLA2G10RPA1
SCHEMBL4638840 0.81 ALPL (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29444415 0.81 ALPL (0.73) TP53ALPLCA12PLA2G10RPA1
SCHEMBL2846632 0.81 ALPL (0.73) TP53ALPLCA12PLA2G10RPA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308558-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-24 EP disclosed
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
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US 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 CCNC 450/4885CDK8 329/4885HDAC3 1283/4885

“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.