SCHEMBL458363

SCHEMBL458363

Cc1cnc(-c2ccc(Br)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SLC2A1 P11166 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX5AP P20292 1/20 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
SCHEMBL458804 0.82 CYP3A4 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL457288 0.81 LDHA (0.53) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL31525206 0.79 ADORA2A (0.42) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL457333 0.78 IDO1 (0.45) IDO1TDO2ALDH1A1NFKB1KDM4E
SCHEMBL458207 0.78 NPC1 (0.44) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL19933562 0.71 METAP2 (0.52) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL21568765 0.70 LDHA (0.57) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL27992749 0.70 TDO2 (0.55) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL28815458 0.70 IDO1 (0.45) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL2596826 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (2 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ADORA2A 1106/4885ADORA1 2823/4885NPC1 3466/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ADORA2A 1106/4885ADORA1 2823/4885NPC1 3466/4885

“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.