SCHEMBL3265647

SCHEMBL3265647

Cn1nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
ADORA2B P29275 5/20 0.47
ADORA2A P29274 4/20 0.47
BTK Q06187 1/20 0.46
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CYP1A2 P05177 1/20 0.44
ADORA1 P30542 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE5A O76074 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TNKS O95271 1/20 0.41
PARP1 P09874 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
SCHEMBL8341630 0.83 ATM (0.68) ATMADORA3ADORA1RAB9ATNKS
SCHEMBL16278294 0.81 ATM (0.66) ATMADORA2BADORA3MAPTNPC1
SCHEMBL1099585 0.81 ATM (0.61) ATMADORA2BADORA2APDE5A
SCHEMBL14100560 0.81 ATM (0.53) ATML3MBTL1MAPTNPC1RAB9A
SCHEMBL13068443 0.77 BTK (0.46) ATMADORA2BADORA2ABTKPOLB
SCHEMBL15759808 0.77 BTK (0.46) ATMADORA2BADORA2ABTKPOLB
SCHEMBL31439929 0.77 ALDH1A1 (0.54) ATML3MBTL1NPSR1NPC1RAB9A
SCHEMBL7658196 0.77 P2RY6 (0.45) ATMADORA2BADORA2ABTKPOLB
SCHEMBL8343433 0.77 ATM (0.47) ATMNPSR1NPC1RAB9A
SCHEMBL12400717 0.77 ADORA2B (0.48) ATMADORA2BADORA2ABTKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010025870-A1 SYNERGISTIC COMBINATIONS OF THIADIAZOL CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-7897603-B2 Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 US disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
WO-2007045672-A1 SELECTED CGRP ANTAGONISTS METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-26 WO disclosed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US 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 (4 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA ATM 2945/4885ADORA2B 231/4885ADORA2A 434/4885
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, BDKRB2 ATM 2736/4885ADORA2B 192/4885ADORA2A 362/4885
US-20130029975-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA ATM 2945/4885ADORA2B 231/4885ADORA2A 434/4885
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL ATM 538/4885ADORA2B 2294/4885ADORA2A 1849/4885

“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.