SCHEMBL11037162

SCHEMBL11037162

COc1ccc(N)c(NCc2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
VNN1 O95497 1/20 0.50
MEN1 O00255 2/20 0.49
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.48
ALOX15 P16050 1/20 0.48
NPC1 O15118 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ATAD2 Q6PL18 1/20 0.47
PGK1 P00558 1/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ALPL P05186 1/20 0.46

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
SCHEMBL17714697 0.85 KMT2A (0.53) KMT2AVNN1MEN1RAB9AMAPT
SCHEMBL15722555 0.82 MAOA (0.51) VNN1RAB9AMAPTKDM4EHPGD
SCHEMBL15722546 0.80 KMT2A (0.47) KMT2AVNN1MEN1RAB9AMAPT
SCHEMBL22163151 0.79 HTR1A (0.69) KMT2AVNN1MEN1RAB9AMAPT
SCHEMBL9540087 0.79 CTSB (0.58) KMT2AVNN1MEN1RAB9AMAPT
SCHEMBL6814420 0.79 NCF1 (0.54) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL15722545 0.78 MAOA (0.62) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL10498883 0.78 MAOA (0.60) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL11625224 0.77 NPC1 (0.71) KMT2AVNN1MEN1RAB9AMAPT
SCHEMBL21855430 0.76 KMT2A (0.69) KMT2AMEN1RAB9AMAPTKDM4E

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-11077107-B2 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2021-08-03 US disclosed
US-20190240219-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INT (DE) 2019-08-08 US disclosed
US-10328074-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-25 US disclosed
EP-3022196-B1 NOVEL BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
EP-2925761-B1 TRIAZOLOPYRAZINES AS BRD4 INHIBITORS FOR USE IN THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-12 US disclosed
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-12 US disclosed
US-9328131-B2 Benzimidazolium compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-03 US disclosed
WO-2015007519-A1 NOVEL BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed
WO-2014076237-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-22 WO disclosed
US-20140142098-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-22 US disclosed
US-20140142098-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP 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 (5 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-20190240219-A1 TRIAZOLOPYRAZINE MKI67, CCNI, CCNT2 KMT2A 2442/4885VNN1 4427/4885MEN1 1278/4885
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BRD4, BRD3, BICRA KMT2A 42/4885VNN1 4827/4885MEN1 1495/4885
US-20140142098-A1 TRIAZOLOPYRAZINE MKI67, CCNI, CCNT2 KMT2A 2442/4885VNN1 4427/4885MEN1 1278/4885
US-10328074-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors BRD4, BRD3, BICRA KMT2A 42/4885VNN1 4827/4885MEN1 1495/4885
US-11077107-B2 Triazolopyrazine MKI67, CCNI, CCNT2 KMT2A 2442/4885VNN1 4427/4885MEN1 1278/4885

“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.