SCHEMBL12690403

SCHEMBL12690403

O=C1Nc2ncccc2O/C1=C\c1cc(Br)cc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
CTRC Q99895 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
STK17B O94768 3/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
SNCA P37840 1/20 0.35
POLB P06746 1/20 0.34
HSD17B3 P37058 2/20 0.34
SIRT1 Q96EB6 1/20 0.33
NTRK1 P04629 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HASPIN Q8TF76 1/20 0.33
HDAC3 O15379 1/20 0.33
RECQL P46063 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL12537683 0.88 RAF1 (0.44) MEN1KMT2ACTRCPTGS1PTGS2
SCHEMBL12537677 0.88 RAF1 (0.44) MEN1KMT2ACTRCPTGS1PTGS2
SCHEMBL12537680 0.88 RAF1 (0.44) MEN1KMT2ACTRCPTGS1PTGS2
SCHEMBL6015921 0.84 MEN1 (0.62) MEN1KMT2ACTRCNPC1RAB9A
SCHEMBL6015927 0.84 MEN1 (0.62) MEN1KMT2ACTRCNPC1RAB9A
SCHEMBL12690199 0.82 STK17B (0.58) MEN1KMT2ARAB9ASTK17BMAPT
SCHEMBL12537510 0.81 NPC1 (0.39) MEN1KMT2ACTRCNPC1RAB9A
SCHEMBL12537507 0.81 NPC1 (0.39) MEN1KMT2ACTRCNPC1RAB9A
SCHEMBL12537509 0.81 NPC1 (0.39) MEN1KMT2ACTRCNPC1RAB9A
SCHEMBL12537581 0.80 MAP3K11 (0.47) MEN1KMT2ANPC1RAB9ASTK17B

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 14 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-20170008907-A1 Compounds and Derivatives of 2H-Pyrido (3,2-b)(1, 4) Oxazin 3)4H)-Ones as raf Kinase and LRRK2 Inhibitors NATIONAL INSTITUTES OF HEALTH 2017-01-12 US disclosed
US-20170008907-A1 Compounds and Derivatives of 2H-Pyrido (3,2-b)(1, 4) Oxazin 3)4H)-Ones as raf Kinase and LRRK2 Inhibitors NATIONAL INSTITUTES OF HEALTH 2017-01-12 US disclosed
US-9493452-B2 Compounds and derivatives of 2H-pyrido (3,2-b)(1, 4) oxazin 3)4H)-ones as raf kinase and LRRK2 inhibitors SOUTHERN METHODIST UNIVERSITY (US) 2016-11-15 US disclosed
US-9493452-B2 Compounds and derivatives of 2H-pyrido (3,2-b)(1, 4) oxazin 3)4H)-ones as raf kinase and LRRK2 inhibitors SOUTHERN METHODIST UNIVERSITY (US) 2016-11-15 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
US-20120245347-A1 Compounds and Derivatives of 2H-Pyrido (3,2-b)(1, 4) Oxazin 3)4H)-Ones as raf Kinase and LRRK2 Inhibitors SOUTHERN METHODIST UNIVERSITY (US) 2012-09-27 US disclosed
US-20120245347-A1 Compounds and Derivatives of 2H-Pyrido (3,2-b)(1, 4) Oxazin 3)4H)-Ones as raf Kinase and LRRK2 Inhibitors 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 (4 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-20120245347-A1 Compounds and Derivatives of 2H-Pyrido (3,2-b)(1, 4) Oxazin 3)4H)-Ones as raf Kinase and LRRK2 Inhibitors LRRK2, BRAF, RAF1 MEN1 2436/4885KMT2A 1874/4885CTRC 4050/4885
US-20170008907-A1 Compounds and Derivatives of 2H-Pyrido (3,2-b)(1, 4) Oxazin 3)4H)-Ones as raf Kinase and LRRK2 Inhibitors LRRK2, BRAF, RAF1 MEN1 2436/4885KMT2A 1874/4885CTRC 4050/4885
US-20140135494-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR MEN1 1575/4885KMT2A 2666/4885CTRC 3162/4885
US-20120245352-A1 Quinoxaline Compounds and Derivatives CYP3A5, PDXK, QDPR MEN1 1575/4885KMT2A 2666/4885CTRC 3162/4885

“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.