SCHEMBL1921932

SCHEMBL1921932

Fc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.51
MAPK11 Q15759 4/20 0.51
MAPK13 O15264 3/20 0.51
MAPK12 P53778 3/20 0.51
BTK Q06187 9/20 0.45
MAPK9 P45984 2/20 0.44
RAF1 P04049 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
LCK P06239 2/20 0.41
EGFR P00533 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
RIPK2 O43353 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
LYN P07948 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
SCHEMBL1921697 0.88 BTK (0.45) BTKLCKEGFR
SCHEMBL1921898 0.85 KDM4C (0.49) MAPK14BTKLCKEGFRAXL
SCHEMBL1921495 0.84 BTK (0.53) MAPK14MAPK11BTKLCKEGFR
SCHEMBL19149800 0.76 BTK (0.60) BTKLCKEGFRLYN
SCHEMBL19149799 0.76 BTK (0.60) BTKLCKEGFRLYN
SCHEMBL21330693 0.74 BTK (0.64) BTKLCKEGFRLYN
SCHEMBL21330691 0.74 BTK (0.64) BTKLCKEGFRLYN
SCHEMBL31302867 0.74 BTK (0.64) BTKLCKEGFRLYN
SCHEMBL1922019 0.74 EGFR (0.45) BTKLCKEGFRLYN
SCHEMBL3246734 0.73 BTK (0.45) BTKLCKEGFR

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-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
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 MAPK14 3676/4885MAPK11 2718/4885MAPK13 4032/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 MAPK14 4582/4885MAPK11 4307/4885MAPK13 4585/4885
US-20110195992-A1 NEW COMPOUNDS II SSB, NFKBIA, ALOX15B MAPK14 3464/4885MAPK11 2156/4885MAPK13 3491/4885
US-20140107150-A1 New Compounds II SSB, NFKBIA, ALOX15B MAPK14 3464/4885MAPK11 2156/4885MAPK13 3491/4885
US-20160101072-A1 Therapeutic uses of enzyme inhibitors VAPB, VAPA, AOX1 MAPK14 4744/4885MAPK11 4447/4885MAPK13 4705/4885

“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.