SCHEMBL1823973

SCHEMBL1823973

Cn1cnc2[c]cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
NQO2 P16083 1/20 0.33
DPP4 P27487 1/20 0.32
GAA P10253 5/20 0.32
KDM4E B2RXH2 4/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 6/20 0.31
RAB9A P51151 6/20 0.31
SHMT2 P34897 1/20 0.31
DYRK1A Q13627 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL16095982 0.76
SCHEMBL6598982 0.75
SCHEMBL5547790 0.69 BRD4 (0.39) ALDH1A1NQO2KDM4ETSHRHSD17B10
SCHEMBL7959 0.69 SLC9A1 (0.48)
SCHEMBL7814440 0.69 TDP1 (0.34) GRM5DPP4TDP1DYRK1A
SCHEMBL1069178 0.68 PARP1 (0.36) SMN1; SMN2HTT
SCHEMBL7014694 0.68 KDM4E (0.42) ALDH1A1MAPTGAAKDM4ETSHR
SCHEMBL9598366 0.67 ADORA2B (0.37) ALDH1A1MAPTKDM4ETDP1NPC1
SCHEMBL5399 0.67 TDP1 (0.59) GRM5TDP1SMN1; SMN2HSD17B10LMNA
SCHEMBL29359161 0.67 TDP1 (0.59) GRM5TDP1SMN1; SMN2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331498-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP claimed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP claimed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO claimed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO claimed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US claimed
US-20100048619-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US claimed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 US disclosed
EP-3990454-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP disclosed
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 CN disclosed
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-23 US disclosed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO disclosed
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-10-01 US disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 EP disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP 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-10428026-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT GRM5 440/4885ALDH1A1 1362/4885MAPT 157/4885
US-20100048619-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM5 GRM5 331/4885ALDH1A1 1209/4885MAPT 912/4885
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 GRM5 2421/4885ALDH1A1 1138/4885MAPT 3364/4885
US-10927080-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT GRM5 440/4885ALDH1A1 1362/4885MAPT 157/4885
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 GRM5 3680/4885ALDH1A1 1053/4885MAPT 4816/4885

“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.