SCHEMBL9909775

SCHEMBL9909775

COC(=O)c1cccc(Sc2ccnc(N)c2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ROCK1 Q13464 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39

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
SCHEMBL18131869 0.79 ERN1 (0.46) MAPTROCK1MEN1KMT2AKDM4E
SCHEMBL9909776 0.77 LMNA (0.61) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL1796033 0.77 MAPT (0.45) MAPTROCK1MEN1KMT2AALDH1A1
SCHEMBL7228451 0.74 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3197561 0.73 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL15227352 0.72 PDE7A (0.61) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL15227150 0.72 MAPT (0.47) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL2931604 0.71 LMNA (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2931600 0.71 LMNA (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL20374622 0.70 SMN1; SMN2 (0.46) MAPTMEN1KMT2AHPGDLMNA

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 21 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-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-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-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 (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-20120238568-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 MAPT 3004/4885ROCK1 283/4885MEN1 3020/4885
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 MAPT 3004/4885ROCK1 283/4885MEN1 3020/4885
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 MAPT 3004/4885ROCK1 283/4885MEN1 3020/4885
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 MAPT 3004/4885ROCK1 283/4885MEN1 3020/4885
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 MAPT 3004/4885ROCK1 283/4885MEN1 3020/4885

“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.