SCHEMBL18909608

SCHEMBL18909608

CC(=O)/C=C/CN(C)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LSS P48449 3/20 0.36
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL18909624 0.96 KDM4E (0.47) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15171151 0.94 LSS (0.40) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575794 0.85 KDM4E (0.46) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575792 0.85 KDM4E (0.46) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL14576547 0.83 KDM4E (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15135714 0.83 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL18909625 0.83 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL14576545 0.83 KDM4E (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL30719696 0.83 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14706379 0.83 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1

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
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-04-21 US disclosed
US-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-04-06 US disclosed
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-09 US disclosed
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-06-18 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 (5 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-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 KDM4E 1554/4885HTR2A 3682/4885HTR2C 1365/4885
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 KDM4E 255/4885HTR2A 3926/4885HTR2C 3942/4885
US-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 KDM4E 1554/4885HTR2A 3682/4885HTR2C 1365/4885
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 KDM4E 1554/4885HTR2A 3682/4885HTR2C 1365/4885
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 KDM4E 255/4885HTR2A 3926/4885HTR2C 3942/4885

“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.