SCHEMBL18909689

SCHEMBL18909689

CCCCCCC(CC)C(=O)/C=C/CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 4/20 0.40
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL22198721 0.94 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL21486156 0.94 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL24462639 0.94 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL21482210 0.94 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL21482374 0.92 CA2 (0.46) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL24304106 0.92 CA2 (0.46) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL20711871 0.92 CA2 (0.41) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL23315005 0.87 CA2 (0.41) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL19970124 0.87 CHRM1 (0.38) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL19970160 0.84 CA2 (0.39) CA2MAPK1CA1GRIK1GRIK2

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
US-9951077-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-04-24 US disclosed
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-06-01 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-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 CA2 3443/4885MAPK1 83/4885CA1 3988/4885

“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.