SCHEMBL458207

SCHEMBL458207

CCc1cnc(-c2ccc(Br)cc2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.42
SLC2A1 P11166 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39

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
SCHEMBL459060 0.84 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL456854 0.80 HEXA (0.43) IDO1TDO2ALOX5APFEN1
SCHEMBL458363 0.78 ADORA2A (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL31525206 0.75 ADORA2A (0.42) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL30673419 0.70 KDM4E (0.42) L3MBTL1SMN1; SMN2MAPK1MAPTMEN1
SCHEMBL560494 0.70 KDM4E (0.42) L3MBTL1SMN1; SMN2MAPK1MAPTMEN1
SCHEMBL28079637 0.69 SMN1; SMN2 (0.71) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL24506838 0.69 NOS3 (0.67) ALOX5APFEN1NOS3NOS1NOS2
SCHEMBL26344805 0.68 NOS3 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL19933562 0.68 METAP2 (0.52) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1

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 NPC1 3466/4885RAB9A 3808/4885L3MBTL1 2609/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 NPC1 3466/4885RAB9A 3808/4885L3MBTL1 2609/4885

“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.