SCHEMBL912815

SCHEMBL912815

Nc1ccc(Nc2ccc(F)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
ALOX12 P18054 2/20 0.55
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
MAPK10 P53779 2/20 0.47
GRM5 P41594 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
AURKA O14965 1/20 0.45
SYK P43405 1/20 0.44
MAPK14 Q16539 1/20 0.43

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
SCHEMBL30639142 0.90 RAD52 (0.45) KMT2AMEN1ALOX12RAB9ANPC1
SCHEMBL6120458 0.88 RAD52 (0.48) KMT2AMEN1ALOX12RAB9ANPC1
SCHEMBL29527700 0.88 RAD52 (0.48) KMT2AMEN1ALOX12RAB9ANPC1
SCHEMBL23142767 0.82 RAD52 (0.52) KMT2AMEN1ALOX12CHRNB4CHRNA3
SCHEMBL913981 0.81 HCAR3 (0.56) KMT2AMEN1ALOX12GRM5RAB9A
SCHEMBL6449812 0.80 MEN1 (0.59) KMT2AMEN1MAPK10RAB9ANPC1
SCHEMBL30202244 0.80 FTO (0.46) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL20796132 0.80 FTO (0.46) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL23999755 0.79 RAD52 (0.59) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL3872115 0.78 MEN1 (0.55) KMT2AMEN1ALOX12CHRNB4CHRNA3

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 3 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

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 KMT2A 2059/4885MEN1 1877/4885ALOX12 4452/4885

“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.