SCHEMBL914646

SCHEMBL914646

CC(=O)Nc1ncc([N+](=O)[O-])cc1Br

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
DYRK1A Q13627 2/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 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
SCHEMBL30626881 0.87 GAA (0.42) GAACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL24603643 0.87 GAA (0.42) GAACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL6519773 0.81 CYP2C19 (0.42) GAACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL30469809 0.81 CYP2C19 (0.42) GAACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL14909529 0.81 ALDH1A1 (0.43) GAACYP1A2ALDH1A1MAPTTDP1
SCHEMBL9376149 0.79 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTTDP1KMT2A
SCHEMBL30708587 0.78 ALDH1A1 (0.55) GAACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL19814165 0.78 ALDH1A1 (0.55) GAACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL23925574 0.78 ALDH1A1 (0.43) GAAALDH1A1MAPTTDP1GLA
SCHEMBL11637557 0.77 MAPT (0.51) GAACYP1A2ALDH1A1SMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2011-01-06 US disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 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 (1 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-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER BRAF, RAF1, ARAF GAA 3040/4885CYP1A2 3591/4885ALDH1A1 1247/4885

“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.