SCHEMBL458540

SCHEMBL458540

CCc1[c]cc(-c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.37
CYP11B2 P19099 6/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
LDHA P00338 2/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BAZ2B Q9UIF8 1/20 0.35
CYP3A4 P08684 1/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL455489 0.83 NPC1 (0.45) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL15064217 0.83 ALDH1A1 (0.37) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL455476 0.76 LDHA (0.42) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL21295702 0.73 LDHA (0.40) CYP11B1CYP11B2NPC1RAB9ALDHA
SCHEMBL457028 0.69 MAPT (0.38) MAPTSMN1; SMN2CYP3A4
SCHEMBL5604734 0.69
SCHEMBL7573851 0.68 CYP11B1 (0.51) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL146559 0.68 NPC1 (0.65) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL18729562 0.67 LDHA (0.49) CYP11B1CYP11B2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL28148550 0.67 NPC1 (0.63) CYP11B1CYP11B2NPC1RAB9AMAPT

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 12 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
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-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 (1 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 CYP11B1 108/4885CYP11B2 77/4885NPC1 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.