SCHEMBL12728640

SCHEMBL12728640

BNC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.81
KMT2A Q03164 7/20 0.81
MAPT P10636 6/20 0.81
HTT P42858 5/20 0.81
POLB P06746 4/20 0.81
DDX3X O00571 2/20 0.81
CTDSP1 Q9GZU7 1/20 0.81
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.65
BLM P54132 1/20 0.63
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA9 Q16790 2/20 0.62
MAPK1 P28482 2/20 0.62
BAZ1A Q9NRL2 2/20 0.62
CA5A P35218 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
NPC1 O15118 2/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL1047211 0.90 MEN1 (1.00) MEN1KMT2AMAPTHTTPOLB
SCHEMBL17084065 0.88 MEN1 (0.96) MEN1KMT2AMAPTHTTPOLB
SCHEMBL6129390 0.85 MEN1 (0.90) MEN1KMT2AMAPTHTTPOLB
SCHEMBL14336428 0.84 KMT2A (0.81) MEN1KMT2AMAPTHTTPOLB
SCHEMBL1694713 0.81 KMT2A (0.77) MEN1KMT2AMAPTHTTPOLB
SCHEMBL1694714 0.81 KMT2A (0.77) MEN1KMT2AMAPTHTTPOLB
SCHEMBL29494959 0.81 MAPT (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL10069069 0.81 KMT2A (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL29494984 0.81 MEN1 (0.82) MEN1KMT2AMAPTHTTPOLB
SCHEMBL22092648 0.81 MAPT (0.82) MEN1KMT2AMAPTHTTPOLB

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-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 US disclosed
US-7759343-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-20 US disclosed
US-7642257-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 US disclosed
US-7462616-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-09 US disclosed
US-7419978-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 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-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 MEN1 2635/4885KMT2A 718/4885MAPT 1958/4885
US-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 MEN1 2635/4885KMT2A 718/4885MAPT 1958/4885
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors PLK2, CDK2, MAP3K15 MEN1 2635/4885KMT2A 718/4885MAPT 1958/4885
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 MEN1 2648/4885KMT2A 391/4885MAPT 2263/4885
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 MEN1 2635/4885KMT2A 718/4885MAPT 1958/4885

“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.