SCHEMBL3755872

SCHEMBL3755872

CCOC(=O)c1cc(C(C)(C)C)nn1COC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.43
SORT1 Q99523 4/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 4/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 1/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL18695272 0.88 TP53 (0.45) SMN1; SMN2TDP1POLBKDM4EMAPT
SCHEMBL3995561 0.87 GRN (0.46) GRNSORT1CNR1CNR2SMN1; SMN2
SCHEMBL574357 0.83 GRN (0.46) GRNSORT1CNR1CNR2SMN1; SMN2
SCHEMBL12455966 0.82 GRN (0.47) GRNSORT1CNR1CNR2KDM4E
SCHEMBL2933232 0.82 GRN (0.61) GRNSORT1CNR1CNR2KDM4E
SCHEMBL18718164 0.82 SMN1; SMN2 (0.49) SMN1; SMN2TDP1POLBKDM4EMAPT
SCHEMBL28820595 0.81 CNR1 (0.65) GRNSORT1CNR1CNR2KDM4E
SCHEMBL573823 0.81 CNR1 (0.46) GRNSORT1CNR1CNR2SMN1; SMN2
SCHEMBL574163 0.81 KDM4E (0.45) GRNSORT1CNR1CNR2SMN1; SMN2
SCHEMBL19128106 0.81 ALDH1A1 (0.42) GRNSORT1CNR1CNR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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
US-8912191-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-12-16 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-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-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-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-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
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 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
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO 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-20120238568-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 GRN 2202/4885SORT1 3738/4885CNR1 1004/4885
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 GRN 2202/4885SORT1 3738/4885CNR1 1004/4885
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 GRN 2202/4885SORT1 3738/4885CNR1 1004/4885
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 GRN 2202/4885SORT1 3738/4885CNR1 1004/4885

“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.