SCHEMBL18909600

SCHEMBL18909600

COCCC(C)N(C)C/C=C/C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRNB2 P17787 9/20 0.36
CHRNA4 P43681 9/20 0.36
CHRNB4 P30926 7/20 0.34
CHRNA3 P32297 7/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GFPT1 Q06210 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
SCHEMBL938137 0.81 HCAR2 (0.44) HCAR2KEAP1NFE2L2CHRNB2CHRNA4
SCHEMBL15156210 0.75 HCAR2 (0.41) HCAR2KEAP1NFE2L2RAB9A
SCHEMBL14617834 0.75 HCAR2 (0.41) HCAR2KEAP1NFE2L2RAB9A
SCHEMBL938157 0.73 HCAR2 (0.52) HCAR2KEAP1NFE2L2ALDH1A1HPGD
SCHEMBL2132535 0.73 HCAR2 (0.52) HCAR2KEAP1NFE2L2ALDH1A1HPGD
SCHEMBL15709423 0.73 HCAR2 (0.43) HCAR2KEAP1NFE2L2RAB9AGFPT1
SCHEMBL15709422 0.73 HCAR2 (0.43) HCAR2KEAP1NFE2L2RAB9AGFPT1
Hydrochloric Acid SCHEMBL2134245 0.71 HCAR2 (0.50) HCAR2KEAP1NFE2L2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2134248 0.71 HCAR2 (0.50) HCAR2KEAP1NFE2L2ALDH1A1HPGD
SCHEMBL30301080 0.71 HCAR2 (0.34) HCAR2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-06-18 US disclosed
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 (2 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 HCAR2 3748/4885KEAP1 1402/4885NFE2L2 1001/4885
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 HCAR2 3748/4885KEAP1 1402/4885NFE2L2 1001/4885

“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.