SCHEMBL18909588

SCHEMBL18909588

CN1CCC(F)C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BTK Q06187 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.38
SSTR4 P31391 6/20 0.38
SSTR1 P30872 3/20 0.38
DRD2 P14416 2/20 0.37
USP30 Q70CQ3 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL28826192 0.88 SSTR4 (0.47) CTSKCA1CA2BTKCYP2C9
SCHEMBL24928078 0.86 CTSK (0.41) CTSKCA1CA2BTKCYP2C9
SCHEMBL31368050 0.86 CTSK (0.41) CTSKCA1CA2BTKCYP2C9
SCHEMBL24928082 0.86 CTSK (0.41) CTSKCA1CA2BTKCYP2C9
SCHEMBL2183768 0.84 CTSK (0.44) CTSKCA1CA2BTKCYP2C9
SCHEMBL21335582 0.84 CTSK (0.44) CTSKCA1CA2BTKCYP2C9
SCHEMBL24850160 0.84 CTSK (0.46) CTSKCA1CA2BTKCYP2C9
SCHEMBL22590344 0.84 CTSK (0.46) CTSKCA1CA2BTKCYP2C9
SCHEMBL18909589 0.84 CTSK (0.46) CTSKCA1CA2BTKCYP2C9
SCHEMBL23162417 0.83 CTSK (0.43) CTSKCA1CA2BTKCYP2C9

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 CTSK 1559/4885CA1 3988/4885CA2 3443/4885

“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.