SCHEMBL2933558

SCHEMBL2933558

Nc1cnc2ncccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
ALDH1A1 P00352 3/20 0.41
NUDT1 P36639 1/20 0.41
MET P08581 1/20 0.40
NOS2 P35228 3/20 0.39
NCF1 P14598 1/20 0.39
BACE1 P56817 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38

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
SCHEMBL30531684 1.00 PRMT5 (0.46) PRMT5ALDH1A1NUDT1METNOS2
SCHEMBL2928822 0.83 BCHE (0.46) PRMT5ALDH1A1NUDT1METNOS2
SCHEMBL30523861 0.78 BCHE (0.45) ALDH1A1MAPTKDM4EHSD17B10HSP90AA1
SCHEMBL2629404 0.75 BCHE (0.42) PRMT5ALDH1A1METMAPK14BCHE
SCHEMBL1597974 0.75 ALDH1A1 (0.41) ALDH1A1NUDT1MAPTKDM4EHSP90AA1
SCHEMBL22479744 0.75 ALDH1A1 (0.41) ALDH1A1NUDT1MAPTKDM4EHSP90AA1
SCHEMBL12338379 0.75 ALDH1A1 (0.38) PRMT5ALDH1A1METKDM4EMAPK14
SCHEMBL4045372 0.74 PLAU (0.43) NOS2NCF1BACE1
SCHEMBL462847 0.73 ALDH1A1 (0.52) ALDH1A1NOS2NCF1BACE1MAPT
SCHEMBL29447182 0.73 ALDH1A1 (0.52) ALDH1A1NOS2NCF1BACE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP claimed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
US-9540372-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-01-10 US disclosed
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-01-07 US disclosed
US-9155737-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-10-13 US disclosed
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-07-02 US disclosed
US-8912191-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-12-16 US disclosed
EP-2229391-B1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-08-06 EP disclosed
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2014-05-01 US disclosed
US-8546387-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-10-01 US disclosed
US-20120238568-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2012-09-20 US disclosed
US-20120214768-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-08-23 US disclosed
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-08-16 US disclosed
US-8202883-B2 Substituted pyrido[2,3-b]pyrazine compounds as modulators of tyrosine kinases AETERNA ZENTARIS GMBH (DE) 2012-06-19 US disclosed
US-8198279-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2012-06-12 US disclosed
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 US disclosed
EP-2229391-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-22 EP disclosed
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 US disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed
US-5306819-A Anxiolytic agents NEUROGEN CORPORATION (US) 1994-04-26 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 (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-20120214768-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 PRMT5 1841/4885ALDH1A1 932/4885NUDT1 1390/4885
US-20120238568-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 PRMT5 1615/4885ALDH1A1 1655/4885NUDT1 3114/4885
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 PRMT5 1615/4885ALDH1A1 1655/4885NUDT1 3114/4885
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 PRMT5 1841/4885ALDH1A1 932/4885NUDT1 1390/4885
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 PRMT5 1615/4885ALDH1A1 1655/4885NUDT1 3114/4885
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 PRMT5 1615/4885ALDH1A1 1655/4885NUDT1 3114/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PRMT5 3635/4885ALDH1A1 589/4885NUDT1 3243/4885
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 PRMT5 1615/4885ALDH1A1 1655/4885NUDT1 3114/4885
US-20120209050-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 PRMT5 1841/4885ALDH1A1 932/4885NUDT1 1390/4885

“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.