SCHEMBL3602680

SCHEMBL3602680

[c]1cc2c(nn1)CCCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31

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
SCHEMBL3617507 0.95
SCHEMBL3616250 0.71 PDK1 (0.30)
SCHEMBL467418 0.70 CYP2A6 (0.42)
SCHEMBL467651 0.66 NPY5R (0.32)
SCHEMBL20554077 0.64 GAA (0.31) GAA
SCHEMBL118747 0.63 DRD4 (0.45)
SCHEMBL1638194 0.62 ADRA2A (0.33)
SCHEMBL1313301 0.62 SIGMAR1 (0.39)
SCHEMBL968063 0.60 SIGMAR1 (0.43) GAA
SCHEMBL154828 0.60 SIGMAR1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
WO-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO disclosed
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 US disclosed
EP-2502909-A1 AMINOPYRIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-09-26 EP disclosed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20130005710-A1 AMINOPYRIDINE DERIVATIVE DCX, NR0B1, NR4A1 GAA 4837/4885
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS GAA 2952/4885
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN GAA 4057/4885

“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.