SCHEMBL3638684

SCHEMBL3638684

[c]1nc2c(-c3n[nH]c4ccccc34)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
IDO1 P14902 3/20 0.49
TTK P33981 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK10 P53779 3/20 0.49
GAA P10253 2/20 0.49
ALPL P05186 1/20 0.49
HPGD P15428 1/20 0.49
AURKA O14965 2/20 0.44
LRRK2 Q5S007 2/20 0.43
ITK Q08881 4/20 0.41
FGFR1 P11362 2/20 0.41
FLT1 P17948 2/20 0.41
MAP2K4 P45985 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
NPC1 O15118 2/20 0.40
PDPK1 O15530 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL4623912 0.78 METAP2 (0.35) KDM4ETTKALDH1A1MAPK10GAA
SCHEMBL6489268 0.76 BCHE (0.40) KDM4EALDH1A1GAAALPLHPGD
SCHEMBL5925960 0.75 KDM4E (0.49) KDM4EIDO1TTKALDH1A1MAPK10
SCHEMBL1730792 0.75 KDM4E (0.45) KDM4EIDO1TTKALDH1A1MAPK10
SCHEMBL33442 0.75 BCHE (0.47) KDM4EIDO1ALDH1A1MAPK1NPC1
SCHEMBL31528475 0.75 KDM4E (0.51) KDM4EIDO1TTKALDH1A1MAPK10
SCHEMBL434158 0.74 METAP2 (0.43) ALDH1A1HPGDLRRK2FGFR1MAPK1
SCHEMBL2188838 0.74 KDM4E (0.58) KDM4EIDO1TTKALDH1A1MAPK10
SCHEMBL30316649 0.74 KDM4E (0.58) KDM4EIDO1TTKALDH1A1MAPK10
SCHEMBL30681831 0.74 KDM4E (0.58) KDM4EIDO1TTKALDH1A1MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008030120-A1 A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO claimed
US-11999754-B2 Ruthenium complexes and their use in olefin metathesis reactions APEIRON SYNTHESIS S.A. (PL) 2024-06-04 US disclosed
CN-110573502-B Biocompatible modular tetrazine platform 国家科学研究中心 2023-07-18 CN disclosed
EP-3820609-B1 USE OF N-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION APEIRON SYNTHESIS SA (PL) 2023-06-28 EP disclosed
US-20210237045-A1 USE OF N-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION APEIRON SYNTHESIS S.A. (PL) 2021-08-05 US disclosed
EP-3820609-A1 <SMALLCAPS/>? ? ?N? ? ? ? ?USE OF-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION Apeiron Synthesis S.A. (PL) 2021-05-19 EP disclosed
US-20210101922-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USE IN OLEFIN METATHESIS REACTIONS APEIRON SYNTHESIS S.A. (PL) 2021-04-08 US disclosed
EP-3781581-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USE IN OLEFIN METATHESIS REACTIONS Apeiron Synthesis S.A. (PL) 2021-02-24 EP disclosed
WO-2019202509-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USE IN OLEFIN METATHESIS REACTIONS APEIRON SYNTHESIS S.A. (PL) 2019-10-24 WO disclosed
EP-2718016-B1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS UMICORE AG & CO KG (DE) 2019-08-14 EP disclosed
EP-2718016-A1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS Umicore AG & Co. KG (DE) 2014-04-16 EP disclosed
WO-2012168183-A1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS UMICORE AG & CO. KG (DE) 2012-12-13 WO disclosed
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 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 (3 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-20210101922-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USE IN OLEFIN METATHESIS REACTIONS OPRM1, ADH1A, CYP2E1 KDM4E 4822/4885IDO1 647/4885TTK 1313/4885
US-20210237045-A1 USE OF N-CHELATING RUTHENIUM COMPLEXES IN THE METATHESIS REACTION CYC1, AP1M1, HNMT KDM4E 4863/4885IDO1 767/4885TTK 1547/4885
US-11999754-B2 Ruthenium complexes and their use in olefin metathesis reactions ADH1A, CYP2E1, OPRM1 KDM4E 4806/4885IDO1 576/4885TTK 1497/4885

“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.