SCHEMBL6285864

SCHEMBL6285864

Nc1cccnc1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.65
EGFR P00533 5/20 0.54
FABP1 P07148 1/20 0.53
FABP6 P51161 1/20 0.53
APP P05067 1/20 0.53
GALR3 O60755 2/20 0.50
NR2F2 P24468 2/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE5A O76074 1/20 0.48
RAD52 P43351 1/20 0.47
UTS2R Q9UKP6 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL31631318 1.00 BACE1 (0.65) BACE1EGFRFABP1FABP6APP
SCHEMBL5212805 0.85 APP (0.54) BACE1APPKMT2AMEN1LMNA
SCHEMBL7835214 0.85 KDM4E (0.55) BACE1EGFRAPPSMN1; SMN2PDE5A
SCHEMBL11016635 0.85 APP (0.54) BACE1APPRAB9AKMT2AMEN1
SCHEMBL5646095 0.81 APP (0.56) BACE1EGFRAPPCDK1
SCHEMBL21382408 0.81 NPC1 (0.62) EGFRAPPNR2F2RAB9AKMT2A
SCHEMBL10509411 0.81 MAOA (0.58) EGFRRAB9AKMT2AMEN1NPC1
SCHEMBL11263883 0.79 ALDH1A1 (0.45) BACE1RAB9ANPC1KDM4EALDH1A1
SCHEMBL23269080 0.79 EGFR (0.54) BACE1EGFRFABP1FABP6GALR3
SCHEMBL11069733 0.79 BACE1 (1.00) BACE1EGFRFABP1FABP6APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11077107-B2 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2021-08-03 US disclosed
US-20200283435-A1 Autotaxin Inhibitory Compunds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-09-10 US disclosed
US-10654846-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-19 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
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
EP-2925761-B1 TRIAZOLOPYRAZINES AS BRD4 INHIBITORS FOR USE IN THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
WO-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO 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-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 US 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
WO-2014076237-A1 TRIAZOLOPYRAZINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-22 WO disclosed
CN-101723885-B Improved method for preparing diaminopyridine JUBILANT ORGANOSYS LTD 2013-02-13 CN disclosed
CN-101723885-A Improved method for preparing diaminopyridine JUBILANT ORGANOSYS LTD 2010-06-09 CN disclosed
JP-2005170848-A METHOD FOR PRODUCING 2,3-DIAMINOPYRIDINES KOEI CHEM CO LTD 2005-06-30 JP disclosed
US-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US disclosed
EP-0397613-A2 Pharmacologically active aminoimidazopyridines DOMPE' FARMACEUTICI S.p.A. (IT) 1990-11-14 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 (9 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 BACE1 3731/4885EGFR 1169/4885FABP1 4589/4885
US-10654846-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 BACE1 1705/4885EGFR 2805/4885FABP1 2528/4885
US-20200283435-A1 Autotaxin Inhibitory Compunds ENPP2, RNASE1, ATXN10 BACE1 1816/4885EGFR 2779/4885FABP1 3199/4885
US-20160129001-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS BRD4 INHIBITORS BRD4, BRD3, BICRA BACE1 2869/4885EGFR 2263/4885FABP1 3065/4885
US-20140142098-A1 TRIAZOLOPYRAZINE MKI67, CCNI, CCNT2 BACE1 3731/4885EGFR 1169/4885FABP1 4589/4885
US-10328074-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as BRD4 inhibitors BRD4, BRD3, BICRA BACE1 2869/4885EGFR 2263/4885FABP1 3065/4885
US-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 BACE1 2651/4885EGFR 1381/4885FABP1 4303/4885
US-11077107-B2 Triazolopyrazine MKI67, CCNI, CCNT2 BACE1 3731/4885EGFR 1169/4885FABP1 4589/4885
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS ENPP2, RNASE1, ATXN10 BACE1 1705/4885EGFR 2805/4885FABP1 2528/4885

“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.