SCHEMBL4829487

SCHEMBL4829487

Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.60
BRAF P15056 1/20 0.60
MAPK14 Q16539 9/20 0.57
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PLAU P00749 1/20 0.52
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL4831597 0.91 RAC1 (0.61) RAF1BRAFMAPK14ALDH1A1MAPT
SCHEMBL6486636 0.90 RAB9A (0.55) RAF1BRAFMAPK14ALDH1A1LMNA
SCHEMBL5897394 0.86 MAPT (0.62) RAF1BRAFMAPK14ALDH1A1LMNA
SCHEMBL4827472 0.84 RAF1 (0.64) RAF1BRAFMAPK14MAPK1NPC1
SCHEMBL4829609 0.83 MAPT (0.67) ALDH1A1LMNAMAPTMAPK1GAA
SCHEMBL4833285 0.83 MAPK14 (0.60) RAF1BRAFMAPK14
SCHEMBL2969941 0.80 ALDH1A1 (0.70) MAPK14ALDH1A1LMNAMAPTMAPK1
SCHEMBL12764328 0.79 BRAF (0.59) RAF1BRAFMAPK14ALDH1A1LMNA
SCHEMBL4829475 0.79 MAPK14 (0.48) RAF1BRAFMAPK14ALDH1A1LMNA
SCHEMBL4832964 0.78 MAPK14 (0.65) RAF1BRAFMAPK14NPC1RAB9A

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 45 patents — showing the first 20. 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-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
EP-2289894-A2 Pyrrolo-triazine compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2011-03-02 EP disclosed
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 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-7759343-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-20 US disclosed
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 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
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
CN-1321150-A Amide derivs. useful as inhibitors of production of cytokines ASTRAZENECA AB (SE) 2001-11-07 CN disclosed
CN-1300278-A Benzamide derivatives for the treatment of diseases caused by cytokines ASTRA ZENECA LTD (SE) 2001-06-20 CN disclosed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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 (3 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-20110098467-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 RAF1 35/4885BRAF 9/4885MAPK14 219/4885
US-20090105243-A1 Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors PLK2, CDK2, MAP3K15 RAF1 35/4885BRAF 9/4885MAPK14 219/4885
US-20100240646-A1 PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS PLK2, CDK2, MAP3K15 RAF1 35/4885BRAF 9/4885MAPK14 219/4885

“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.