SCHEMBL3064773

SCHEMBL3064773

CC(O)CNC(=O)c1cccc(Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.55
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ IRAK4 Q9NWZ3 5/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MME P08473 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ IRAK1 P51617 2/20 0.45
▸ FYN P06241 1/20 0.44

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
SCHEMBL3062334 0.86 MET (0.59) HDAC1MEN1KMT2AIRAK4LMNA
SCHEMBL3052686 0.78 HDAC1 (0.57) HDAC1MEN1KMT2AIRAK4MAPT
SCHEMBL4135740 0.76 MET (0.55) HDAC1MAPTTP53KDM4EGAA
SCHEMBL1301755 0.75 MET (0.62) HDAC1MEN1KMT2AIRAK4IRAK1
Hydrochloric Acid SCHEMBL2673060 0.75 HDAC1 (0.58) HDAC1MEN1KMT2AMAPTTP53
SCHEMBL2470246 0.74 HDAC1 (0.59) HDAC1MEN1KMT2ALMNAMAPT
SCHEMBL4132500 0.73 MET (0.75) HDAC1MAPTTP53KDM4EGAA
SCHEMBL3067317 0.72 MET (0.61) HDAC1IRAK4IRAK1
SCHEMBL18937891 0.72 MEN1 (0.64) HDAC1MEN1KMT2AIRAK4POLB
SCHEMBL3057712 0.72 MET (0.55) HDAC1MEN1KMT2AKDM4EGAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221806-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-12-29 — — US 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
EP-2049531-B1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-09-24 — — EP 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
US-8435981-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-05-07 — — US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 — — US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 — — US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 — — US disclosed
EP-2049531-A2 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2009-04-22 — — EP disclosed
WO-2008017361-A2 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-14 — — WO disclosed
WO-2008017361-A2 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-14 — — 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-20130131037-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES RET, MET, ERBB2 HDAC1 854/4885MEN1 157/4885KMT2A 627/4885
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 HDAC1 745/4885MEN1 166/4885KMT2A 792/4885

“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.

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