SCHEMBL3424014

SCHEMBL3424014

Nc1nnc(-c2cc3c(N)cnnc3c(F)c2Nc2ccc(Br)cc2F)o1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
MAP2K1 Q02750 10/20 0.33
ABCB11 O95342 1/20 0.32
NQO2 P16083 1/20 0.32
MAP2K2 P36507 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
EGFR P00533 1/20 0.30
RET P07949 1/20 0.30
KIF5B P33176 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL3424020 0.84 DGAT1 (0.32) DGAT1PIM1PIM3PIM2
SCHEMBL6205792 0.80 MAP2K1 (0.43) DGAT1MAP2K1MAP2K2PIM1PIM3
SCHEMBL3426225 0.79 MAP2K1 (0.50) MAP2K1ABCB11NQO2MAP2K2MEN1
SCHEMBL3425471 0.75 MAP2K1 (0.47) MAP2K1ABCB11NQO2MAP2K2MEN1
SCHEMBL3426067 0.74 MAP2K1 (0.46) MAP2K1ABCB11NQO2MAP2K2MEN1
SCHEMBL391367 0.73 MAP2K1 (0.59) MAP2K1ABCB11NQO2MAP2K2
SCHEMBL5474880 0.73 DGAT1 (0.40) DGAT1MAP2K1MAP2K2EGFRRET
SCHEMBL5404404 0.72 MAP2K1 (0.36) DGAT1MAP2K1ABCB11NQO2MAP2K2
SCHEMBL1041920 0.69 MAP2K1 (0.35) DGAT1MAP2K1MAP2K2PIM1PIM3
SCHEMBL30536473 0.69 IDO1 (0.34) DGAT1PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689233-B1 BICYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2012-07-04 EP disclosed
EP-1689233-B1 BICYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2012-07-04 EP disclosed
US-7772234-B2 7-(2,4-Dichlorophenylamino)-8-fluoro-4-methyl-cinnoline-6-carboxylic acid (2-hydroxyethoxy)-amide; mitogen activated protein, extracellular signal regulated kinase, kinase inhibitor; cancer and inflammation ARRAY BIOPHARMA INC. (US) 2010-08-10 US disclosed
US-7772234-B2 7-(2,4-Dichlorophenylamino)-8-fluoro-4-methyl-cinnoline-6-carboxylic acid (2-hydroxyethoxy)-amide; mitogen activated protein, extracellular signal regulated kinase, kinase inhibitor; cancer and inflammation ARRAY BIOPHARMA INC. (US) 2010-08-10 US disclosed
US-7772234-B2 7-(2,4-Dichlorophenylamino)-8-fluoro-4-methyl-cinnoline-6-carboxylic acid (2-hydroxyethoxy)-amide; mitogen activated protein, extracellular signal regulated kinase, kinase inhibitor; cancer and inflammation ARRAY BIOPHARMA INC. (US) 2010-08-10 US disclosed
EP-1689233-A4 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-08-29 EP disclosed
EP-1689233-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051302-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 DGAT1 3343/4885MAP2K1 33/4885ABCB11 1567/4885

“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.