SCHEMBL1921879

SCHEMBL1921879

Clc1ccc(-c2nn(CC3CCOCC3)c3ccncc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.44
MERTK Q12866 5/20 0.43
KDM4C Q9H3R0 2/20 0.42
NLRP3 Q96P20 1/20 0.40
RET P07949 2/20 0.39
ABL1 P00519 1/20 0.39
SLC34A1 Q06495 2/20 0.38
NR3C1 P04150 1/20 0.38
CDK9 P50750 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KCNH2 Q12809 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
SCHEMBL1922325 0.93 BTK (0.42) BTKMERTKKDM4CNLRP3RET
SCHEMBL12354529 0.80 BTK (0.45) BTKKDM4CNLRP3
SCHEMBL1923126 0.78 KDM4C (0.51) BTKKDM4CNLRP3RETABL1
SCHEMBL1921470 0.78 KDM4C (0.51) BTKKDM4CNLRP3RETABL1
SCHEMBL12354530 0.78 KDM4C (0.51) BTKKDM4CNLRP3RETABL1
SCHEMBL9302703 0.74 CSNK2A2 (0.39) KCNH2
SCHEMBL2468525 0.72 DYRK1A (0.50) NLRP3CDK9CNR1CNR2KCNH2
SCHEMBL8135725 0.72 LTA4H (0.39) MERTKKCNH2
SCHEMBL18982279 0.71 KDM4C (0.55) KDM4CRETCNR1CNR2
SCHEMBL8138744 0.71 CYP2D6 (0.42) KDM4CKCNH2

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 BTK 4809/4885MERTK 4832/4885KDM4C 4736/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 BTK 4774/4885MERTK 4465/4885KDM4C 3745/4885
US-20110195992-A1 NEW COMPOUNDS II SSB, NFKBIA, ALOX15B BTK 3544/4885MERTK 2070/4885KDM4C 4620/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B BTK 3544/4885MERTK 2070/4885KDM4C 4620/4885

“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.