SCHEMBL1301730

SCHEMBL1301730

O=c1ccc(-c2cccc(F)c2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
IDO1 P14902 2/20 0.51
NOTUM Q6P988 1/20 0.51
LMNA P02545 4/20 0.50
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
ALOX15 P16050 3/20 0.49
TP53 P04637 2/20 0.49
NFKB1 P19838 2/20 0.49
MAPK1 P28482 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALOX12 P18054 1/20 0.49
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL10353459 0.87 CYP1A2 (0.74) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL1151416 0.84 CYP1A2 (0.58) CYP1A2NOTUMLMNAPDE4APDE4B
SCHEMBL7298232 0.81 CYP1A2 (0.65) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL4048920 0.79 CYP1A2 (0.62) CYP1A2IDO1NOTUMLMNAPDE4A
SCHEMBL2152938 0.79 CYP1A2 (0.62) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL10066830 0.79 CYP1A2 (0.62) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL11628763 0.79 KMT2A (0.64) CYP1A2IDO1NOTUMLMNAPDE4A
SCHEMBL2829502 0.79 CYP1A2 (0.62) CYP1A2IDO1LMNAPDE4APDE4B
SCHEMBL8887885 0.79 CYP1A2 (0.50) CYP1A2IDO1NOTUMLMNASMN1; SMN2
SCHEMBL1769732 0.79 JAK2 (0.62) CYP1A2IDO1NOTUMLMNAPDE4A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510470-A Pyridazinone compounds and application thereof 暨南大学 2024-02-06 CN disclosed
US-9221806-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
EP-2049531-B1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-09-24 EP disclosed
US-8623870-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-01-07 US disclosed
US-8623870-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-01-07 US disclosed
US-8623870-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-01-07 US disclosed
CN-101501028-B 2- (heterocyclylbenzyl) pyridazinone derivatives MERCK PATENT GMBH 2013-09-11 CN disclosed
US-20130131037-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2013-05-23 US disclosed
US-8435981-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-05-07 US disclosed
EP-2373647-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-31 EP disclosed
CN-101326167-A Pyridiazinone derivatives for tumour treatment MERCK PATENT GMBH (DE) 2008-12-17 CN disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 US disclosed
EP-1960370-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT Merck Patent GmbH (DE) 2008-08-27 EP disclosed
WO-2008017361-A2 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-14 WO disclosed
WO-2007065518-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
WO-2007065518-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
US-4112095-A 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents AMERICAN CYANAMID COMPANY (US) 1978-09-05 US disclosed
US-4092311-A Hypotensive alkyl-3-[6-(aryl)-3-pyridazinyl]-carbazates AMERICAN CYANAMID COMPANY (US) 1978-05-30 US 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-20130131037-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES RET, MET, ERBB2 CYP1A2 714/4885IDO1 1331/4885NOTUM 4069/4885
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 CYP1A2 796/4885IDO1 930/4885NOTUM 4250/4885

“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.