SCHEMBL9909776

SCHEMBL9909776

Nc1nccc(Sc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MITF O75030 1/20 0.48
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
PDE7A Q13946 2/20 0.42
PDE7B Q9NP56 1/20 0.42
NOD2 Q9HC29 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
DHFR P00374 1/20 0.39
MGMT P16455 1/20 0.38
CYP19A1 P11511 1/20 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
SCHEMBL2931604 0.82 LMNA (0.43) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL2931600 0.82 LMNA (0.43) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL7228451 0.79 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL8562706 0.78 MEN1 (0.50) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL9909775 0.77 MAPT (0.42) LMNAMAPTSMN1; SMN2KDM4EGSTP1
SCHEMBL1840937 0.73 MEN1 (0.48) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL2935810 0.73 PRMT1 (0.49) LMNAMAPTSMN1; SMN2HTTHPGD
SCHEMBL9709555 0.71 PDE7A (0.58) LMNAMAPTSMN1; SMN2HTTGSTP1
SCHEMBL3688848 0.71 MAPT (0.47) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL8596783 0.71 HTT (0.40) LMNAMAPTSMN1; SMN2HTTKDM4E

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 10 patents. 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-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
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-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

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 LMNA 2931/4885MAPT 3004/4885SMN1; SMN2 4162/4885
US-20150182526-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 LMNA 2931/4885MAPT 3004/4885SMN1; SMN2 4162/4885
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 LMNA 2931/4885MAPT 3004/4885SMN1; SMN2 4162/4885
US-20140121212-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 LMNA 2931/4885MAPT 3004/4885SMN1; SMN2 4162/4885
US-20100298320-A1 Pyrido[2,3-b]pyrazin-8-substituted Compounds and Their Use BRAF, NRAS, RAF1 LMNA 2931/4885MAPT 3004/4885SMN1; SMN2 4162/4885

“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.