SCHEMBL457333

SCHEMBL457333

Cc1cnc(-c2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
FEN1 P39748 6/20 0.43
KIF11 P52732 4/20 0.43
ALOX5AP P20292 5/20 0.42
LTA4H P09960 1/20 0.39
LCK P06239 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
TOP1 P11387 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL18068203 0.80 IDO1 (0.42) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL456854 0.80 HEXA (0.43) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL1549179 0.79 FEN1 (0.46) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL16906529 0.79 HDAC1 (0.47) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL2559931 0.78 TDO2 (0.46) IDO1TDO2KDM1AMAOBKIF11
SCHEMBL458804 0.78 CYP3A4 (0.47) KDM1AMAOBKDM4EALDH1A1CYP1A2
SCHEMBL458363 0.78 ADORA2A (0.46) IDO1TDO2FEN1ALOX5APKDM4E
SCHEMBL457288 0.78 LDHA (0.53) IDO1TDO2KDRKDM4EALDH1A1
SCHEMBL26532554 0.74 ALOX5AP (0.40) IDO1TDO2KDM1AMAOBFEN1
SCHEMBL9952530 0.73 MAOB (0.60) KDM1AMAOBFEN1KIF11ALOX5AP

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 IDO1 327/4885TDO2 472/4885KDM1A 1889/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 IDO1 327/4885TDO2 472/4885KDM1A 1889/4885

“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.