SCHEMBL1921697

SCHEMBL1921697

Clc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.45
KCNH2 Q12809 1/20 0.44
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
NSD3 Q9BZ95 1/20 0.39
ABCB1 P08183 1/20 0.38

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
SCHEMBL1921932 0.88 MAPK14 (0.51) BTKEGFRLCK
SCHEMBL3246734 0.86 BTK (0.45) BTKEGFRLCK
SCHEMBL1922019 0.86 EGFR (0.45) BTKKCNH2EGFRLCK
SCHEMBL12354529 0.85 BTK (0.45) BTKEGFRLCK
SCHEMBL1922018 0.84 BTK (0.53) BTKEGFRLCK
SCHEMBL1921672 0.81 BTK (0.47) BTKEGFRLCK
SCHEMBL1921902 0.81 BTK (0.46) BTKEGFRLCK
SCHEMBL1923126 0.81 KDM4C (0.51) BTKEGFRLCK
SCHEMBL12354530 0.81 KDM4C (0.51) BTKEGFRLCK
SCHEMBL1921470 0.81 KDM4C (0.51) BTKEGFRLCK

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160101072-A1 Therapeutic uses of enzyme inhibitors PROXIMAGEN LIMITED (GB) 2016-04-14 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 (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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 BTK 4809/4885KCNH2 1764/4885EGFR 4818/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 BTK 4774/4885KCNH2 3747/4885EGFR 4810/4885
US-20110195992-A1 NEW COMPOUNDS II SSB, NFKBIA, ALOX15B BTK 3544/4885KCNH2 2695/4885EGFR 4867/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B BTK 3544/4885KCNH2 2695/4885EGFR 4867/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 BTK 4739/4885KCNH2 3480/4885EGFR 4779/4885

“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.