SCHEMBL12694945

SCHEMBL12694945

O=C1Oc2ccccc2/C1=C\c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.74
▸ TOP2A P11388 1/20 0.74
▸ LCK P06239 6/20 0.66
▸ RAF1 P04049 4/20 0.57
▸ SIRT1 Q96EB6 2/20 0.53
▸ PRKACA P17612 2/20 0.48
▸ PRKACG P22612 2/20 0.48
▸ PRKACB P22694 2/20 0.48
▸ SRC P12931 1/20 0.48
▸ LRRK2 Q5S007 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 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
SCHEMBL4261091 0.83 TOP1 (0.75) TOP1TOP2ALCKPRKACAMEN1
SCHEMBL4261090 0.83 TOP1 (0.75) TOP1TOP2ALCKPRKACAMEN1
SCHEMBL12694944 0.82 TOP1 (0.74) TOP1TOP2ALCKRAF1SIRT1
SCHEMBL12694951 0.81 STK17B (0.66) LCKSIRT1PRKACAMEN1KMT2A
SCHEMBL4267530 0.78 TOP1 (0.76) TOP1TOP2ALCKPRKACAMEN1
SCHEMBL4267528 0.78 TOP1 (0.76) TOP1TOP2ALCKPRKACAMEN1
SCHEMBL30428503 0.78 TOP1 (0.58) TOP1TOP2ASIRT1MEN1ALDH1A1
SCHEMBL1078524 0.77 TOP1 (0.66) TOP1TOP2AMEN1ALDH1A1KMT2A
SCHEMBL30428710 0.75 MEN1 (0.55) TOP1TOP2ASIRT1MEN1ALDH1A1
SCHEMBL1395136 0.72 RAF1 (1.00) RAF1SIRT1LRRK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 — — US disclosed
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 — — US disclosed
US-20140135494-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-05-15 — — US disclosed
US-20140135494-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-05-15 — — US disclosed
US-8669363-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-03-11 — — US disclosed
US-8669363-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2014-03-11 — — US disclosed
US-20120245352-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2012-09-27 — — US disclosed
US-20120245352-A1 Quinoxaline Compounds and Derivatives SOUTHERN METHODIST UNIVERSITY (US) 2012-09-27 — — 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-20140135494-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR TOP1 63/4885TOP2A 55/4885LCK 2047/4885
US-20120245352-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR TOP1 63/4885TOP2A 55/4885LCK 2047/4885

“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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