SCHEMBL458206

SCHEMBL458206

CCc1[c]cc(-c2ccc(Br)cc2)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOB P27338 1/20 0.33
METAP2 P50579 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 3/20 0.33
CASP1 P29466 1/20 0.33
APP P05067 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL459059 0.83 NPC1 (0.36) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL458362 0.77 NPC1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL456512 0.72 NPC1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL455489 0.71 NPC1 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL456234 0.68 NPC1 (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL28108576 0.68 ADORA2A (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL456831 0.64 NPC1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL15063998 0.63 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL21550488 0.62 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL29725209 0.62 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1

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 15 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
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN 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
CN-103180300-B Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
CN-104326952-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-02-04 CN disclosed
CN-104277004-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-01-14 CN 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
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN 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 3808/4885SMN1; SMN2 2907/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 NPC1 3466/4885RAB9A 3808/4885SMN1; SMN2 2907/4885

“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.