SCHEMBL1921898

SCHEMBL1921898

Fc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.49
BTK Q06187 13/20 0.45
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
CREBBP Q92793 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL1921468 0.88 BTK (0.46) KDM4CBTKGSK3BDYRK1ACREBBP
SCHEMBL12354529 0.88 BTK (0.45) KDM4CBTKGSK3BDYRK1ACREBBP
SCHEMBL1921932 0.85 MAPK14 (0.51) BTKEGFRLCKAXLMERTK
SCHEMBL1921351 0.84 CREBBP (0.47) KDM4CBTKGSK3BDYRK1ACREBBP
SCHEMBL1921495 0.84 BTK (0.53) BTKEGFRLCKMAPK14
SCHEMBL12354530 0.81 KDM4C (0.51) KDM4CBTKGSK3BDYRK1AEGFR
SCHEMBL1923126 0.81 KDM4C (0.51) KDM4CBTKGSK3BDYRK1AEGFR
SCHEMBL1921470 0.81 KDM4C (0.51) KDM4CBTKGSK3BDYRK1AEGFR
SCHEMBL31153453 0.78 GSK3B (0.44) KDM4CBTKGSK3BDYRK1ACREBBP
SCHEMBL34471842 0.78 GSK3B (0.44) KDM4CBTKGSK3BDYRK1ACREBBP

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 31 patents — showing the first 20. 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-20140107150-A1 New Compounds II PROXIMAGEN LTD (GB) 2014-04-17 US claimed
US-8633318-B2 Compounds for treatment or prevention of inflammation, an inflammatory disease, or an immune or an autoimmune disorder PROXIMAGEN LTD (GB) 2014-01-21 US claimed
EP-2328895-B1 Pyrazolo[4,3-c]pyridine compounds and their use as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-03-27 EP claimed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US claimed
EP-2328895-A1 NEW COMPOUNDS II Proximagen Limited (GB) 2011-06-08 EP claimed
WO-2010031791-A1 NEW COMPOUNDS II BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO claimed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 US disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US disclosed
EP-2328895-B1 Pyrazolo[4,3-c]pyridine compounds and their use as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-03-27 EP disclosed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US disclosed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US disclosed
US-20110195992-A1 NEW COMPOUNDS II PROXIMAGEN LIMITED (GB) 2011-08-11 US disclosed
EP-2328895-A1 NEW COMPOUNDS II Proximagen Limited (GB) 2011-06-08 EP disclosed
WO-2010031791-A1 NEW COMPOUNDS II BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO disclosed
WO-2010031791-A1 NEW COMPOUNDS II BIOVITRUM AB (PUBL) (SE) 2010-03-25 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 (4 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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 KDM4C 4736/4885BTK 4809/4885GSK3B 3570/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 KDM4C 3745/4885BTK 4774/4885GSK3B 3629/4885
US-20110195992-A1 NEW COMPOUNDS II SSB, NFKBIA, ALOX15B KDM4C 4620/4885BTK 3544/4885GSK3B 566/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B KDM4C 4620/4885BTK 3544/4885GSK3B 566/4885

“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.