SCHEMBL513844

SCHEMBL513844

CCc1cc(CC)c(-c2c(O)c(C)nn(C)c2=O)c(CC)c1Br

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.30
CDK8 P49336 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL513484 0.91 HPGD (0.30) MAPK8
SCHEMBL513333 0.87 KDM4E (0.31) MAPK8CDK8ACVR1
SCHEMBL514980 0.85 PDE4A (0.31) CDK8ACVR1
SCHEMBL512973 0.85 CASR (0.33) CDK8ACVR1
SCHEMBL513255 0.81 CASR (0.32)
SCHEMBL466412 0.81 MAPT (0.36) CDK8ACVR1
SCHEMBL10288222 0.80 LMNA (0.33) CDK8ACVR1
SCHEMBL510530 0.80 MAPK8 (0.36) MAPK8CDK8ACVR1
SCHEMBL18131563 0.79 CDK8 (0.34) CDK8ACVR1
SCHEMBL16642353 0.77 CRHR1 (0.38) CDK8ACVR1

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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR MAPK8 1680/4885CDK8 3755/4885ACVR1 1220/4885

“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.