SCHEMBL2464307

SCHEMBL2464307

O=C(O)N1CCC(n2cc(-c3ccc(Cl)cc3)c3cnccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.43
GSK3B P49841 3/20 0.43
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
KCNH2 Q12809 7/20 0.40
BTK Q06187 3/20 0.39
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HIPK2 Q9H2X6 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
SCHEMBL2467031 0.89 DYRK1A (0.42) DYRK1AGSK3BKCNH2BTKEGFR
SCHEMBL12327702 0.85 PRKCG (0.49) BTKEGFR
SCHEMBL18976877 0.84 DYRK1A (0.46) DYRK1AGSK3BCDC7CDK2KCNH2
SCHEMBL27926310 0.82 DYRK1A (0.39) DYRK1AGSK3BCDC7CDK2KCNH2
SCHEMBL12327177 0.81 DYRK1A (0.66) DYRK1AGSK3BCDC7CDK2KCNH2
SCHEMBL12327008 0.81 DYRK1A (0.47) DYRK1AGSK3BCDC7CDK2KCNH2
SCHEMBL2464730 0.80 DYRK1A (0.41) DYRK1AGSK3BKCNH2BTKSLC22A12
SCHEMBL14875621 0.79 IKBKB (0.40) DYRK1AGSK3BKCNH2BTKEGFR
SCHEMBL1921723 0.79 BTK (0.60) BTKEGFRLCK
SCHEMBL2464056 0.76 DYRK1A (0.57) DYRK1AGSK3BCDC7CDK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US claimed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US claimed
EP-3386494-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-10-17 EP disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 EP disclosed
WO-2014199171-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS PROXIMAGEN LIMITED (GB) 2014-12-18 WO disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
EP-2547677-A2 INHIBITORS OF SEMICARABAZIDE - SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2013-01-23 EP disclosed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 WO 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-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 DYRK1A 4682/4885GSK3B 3629/4885CDC7 4456/4885
US-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA DYRK1A 4354/4885GSK3B 2563/4885CDC7 2121/4885

“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.