Sugi Predict

Sugi Predict / Compounds / SCHEMBL982967

SCHEMBL982967

SCHEMBL982967

O=C(O)Cc1ccc2nsnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ GAA P10253 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 6/20 0.49
▸ MAPT P10636 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ RGS12 O14924 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ GNAI1 P63096 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TDP1 Q9NUW8 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
SCHEMBL15941094 0.80 KDM4E (0.44) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL981900 0.80 KDM4E (0.44) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6314179 0.78 ALDH1A1 (0.35) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL31377326 0.78 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL981575 0.77 KDM4E (0.62) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL5262949 0.76 PTPN11 (0.48) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL29874931 0.76 ECE2 (0.59) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL2496318 0.76 ECE2 (0.59) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL13957362 0.75 PKM (0.62) KDM4EHSD17B10HIF1ATDP1PTGS1
SCHEMBL5654842 0.75 ALDH1A1 (0.47) ALDH1A1GAAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10064861-B2 Macrocyclic pyridazinone derivatives MERCK PATENT GMBH (DE) 2018-09-04 — — US disclosed
EP-2953952-B1 MACROCYCLIC PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-07 — — EP disclosed
US-20170143713-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-05-25 — — US disclosed
EP-2953944-B1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-26 — — EP disclosed
US-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
US-9567320-B2 Pyridazinone-amides derivatives MERCK PATENT GMBH (DE) 2017-02-14 — — US disclosed
US-9550794-B2 Macrocyclic pyridazinone derivatives MERCK PATENT GMBH (DE) 2017-01-24 — — US disclosed
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES MERCK PATENT GMBH (DE) 2015-12-31 — — US disclosed
US-20150376206-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-12-31 — — US disclosed
EP-2953944-A1 PYRIDAZINONE-AMIDES DERIVATIVES Merck Patent GmbH (DE) 2015-12-16 — — EP disclosed
WO-2007019933-A1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-22 — — WO disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 — — EP disclosed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 — — EP disclosed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 — — US disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 — — US disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 — — EP disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 — — EP disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 — — WO disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 — — WO disclosed
US-6017939-A 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GESELLSCHAFT (DE) 2000-01-25 — — 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 (7 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-20170071936-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 ALDH1A1 108/4885GAA 3115/4885MEN1 1650/4885
US-10064861-B2 Macrocyclic pyridazinone derivatives C5, PDXK, CYP1A2 ALDH1A1 668/4885GAA 2397/4885MEN1 320/4885
US-20150376167-A1 PYRIDAZINONE-AMIDES DERIVATIVES CNKSR1, SSB, NQO2 ALDH1A1 108/4885GAA 3115/4885MEN1 1650/4885
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS ALDH1A1 3130/4885GAA 2604/4885MEN1 2999/4885
US-20170143713-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES C5, PDXK, CYP1A2 ALDH1A1 668/4885GAA 2397/4885MEN1 320/4885
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO ALDH1A1 1678/4885GAA 1802/4885MEN1 4325/4885
US-20150376206-A1 MACROCYCLIC PYRIDAZINONE DERIVATIVES CYP1A1, VDR, NQO1 ALDH1A1 410/4885GAA 2663/4885MEN1 355/4885

“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.