SCHEMBL2730784

SCHEMBL2730784

O=c1oc(-c2cccnc2)ns1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 0.66
F2 P00734 1/20 0.48
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
PSMB11 A5LHX3 1/20 0.47
PSMD11 O00231 1/20 0.47
PSMD12 O00232 1/20 0.47
PSMD14 O00487 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMD3 O43242 1/20 0.47
PSMC3 P17980 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 1/20 0.47
PSMA3 P25788 1/20 0.47
PSMA4 P25789 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMA5 P28066 1/20 0.47

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
SCHEMBL1781069 0.80 PSMB8 (1.00) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL14755434 0.78 PSMB8 (0.69) PSMB8ALDH1A1PSMB11PSMD11PSMD12
SCHEMBL14755644 0.77 PSMB8 (1.00) PSMB8ALDH1A1PSMB11PSMD11PSMD12
SCHEMBL2274986 0.71 NPC1 (0.76) ALDH1A1CYP1A2CYP3A4CYP2A6RAB9A
SCHEMBL1781114 0.71 PSMB8 (0.69) PSMB8ALDH1A1PSMB11PSMD11PSMD12
SCHEMBL2113446 0.71 PSMB8 (0.56) PSMB8CYP2A6PSMB11PSMD11PSMD12
SCHEMBL11396664 0.71 PSMB8 (0.69) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL4177855 0.71 PSMB8 (0.69) PSMB8ALDH1A1CYP1A2PSMB11PSMD11
SCHEMBL1780955 0.71 PSMB8 (0.69) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL1779473 0.70 PSMB8 (0.60) PSMB8ALDH1A1CYP1A2HSD17B10KDM4E

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
CN-111278840-B Pyrrolo [2,3-B ] pyridine compounds and their use for the treatment of cancer 癌症研究科技有限公司 2023-11-17 CN disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-9173396-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9173396-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
EP-2630133-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-08-28 EP disclosed
WO-2013031694-A1 AMINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2013-03-07 WO disclosed
WO-2012052412-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-04-26 WO disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 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 (3 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE PSMB8 1399/4885F2 1801/4885ALDH1A1 2531/4885
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS PSMB8 1028/4885F2 1690/4885ALDH1A1 2666/4885
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS PSMB8 1028/4885F2 1690/4885ALDH1A1 2666/4885

“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.