SCHEMBL4545994

SCHEMBL4545994

COC(=O)c1cc2nc[nH]c2c(F)c1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CXCR2 P25025 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
NUDT1 P36639 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
AXL P30530 1/20 0.38
GFER P55789 1/20 0.38
CSF1R P07333 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PAK4 O96013 1/20 0.36
CSNK2A2 P19784 1/20 0.36
AKT1 P31749 1/20 0.36
PLK1 P53350 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ALOX5 P09917 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL8059115 0.89 MKNK1 (0.40) MKNK1KMT2ATSHRCSF1RKDM4E
SCHEMBL1078430 0.85 CYP2C9 (0.45) MEN1KMT2ACSF1RKDM4ENPC1
SCHEMBL1041938 0.81 MAPT (0.43) MAPTALOX15CXCR2NUDT1MEN1
SCHEMBL1038046 0.78 MAPT (0.42) MAPTMEN1KMT2ATSHRGFER
SCHEMBL3886544 0.78 MEN1 (0.45) MEN1KMT2AGFERSMN1; SMN2
SCHEMBL8059139 0.78 MAP2K1 (0.43) MAPTTSHRCSF1RCSNK2A2NPC1
SCHEMBL5743531 0.73 KMT2A (0.36) MAPTALOX15MEN1KMT2AKDM4E
SCHEMBL4545983 0.73 MAPT (0.49) MAPTALOX15CXCR2MEN1KMT2A
SCHEMBL5139687 0.72 MAPT (0.52) MAPTALOX15CXCR2KMT2AAXL
SCHEMBL31366873 0.72 MAPT (0.48) MAPTALOX15CXCR2NUDT1MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000810-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR ARRAY BIOPHARMA INC (US) 2017-07-19 EP disclosed
US-8178693-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2012-05-15 US disclosed
US-8003805-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-7973170-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2011-07-05 US disclosed
US-7842816-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2010-11-30 US disclosed
US-20100267710-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-10-21 US disclosed
US-20100267793-A1 METHOD OF TREATMENT USING N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-10-21 US disclosed
US-20100261718-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-10-14 US disclosed
US-20100261717-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-10-14 US disclosed
US-20100260714-A1 COMPOSITIONS COMPRISING N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-10-14 US disclosed
US-7576114-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-7576114-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
WO-2009036020-A1 MEK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-7425637-B2 mitogen-activated protein/extracellular signal-regulated (MAP/ERK)Kinase pathways; 6-(4-bromo-2-fluorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethoxy)-amide; hyperproliferative diseases; anticarcinogenic and antiinflammatory agent ARRAY BIOPHARMA INC. (US) 2008-09-16 US disclosed
US-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-24 US disclosed
US-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-24 US disclosed
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-17 US disclosed
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-17 US disclosed
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC. (US) 2007-12-27 US disclosed
US-7235537-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. (US) 2007-06-26 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 (8 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-20100261718-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CDK9, NRAS MAPT 4820/4885ALOX15 3109/4885CXCR2 1453/4885
US-20080171778-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAPT 4838/4885ALOX15 3175/4885CXCR2 1437/4885
US-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAPT 4838/4885ALOX15 3175/4885CXCR2 1437/4885
US-20100261717-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAPT 4838/4885ALOX15 3175/4885CXCR2 1437/4885
US-20100267710-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAPT 4838/4885ALOX15 3175/4885CXCR2 1437/4885
US-20100260714-A1 COMPOSITIONS COMPRISING N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS AND METHODS OF USE THEREOF NRAS, BRAF, ABL1 MAPT 4734/4885ALOX15 2714/4885CXCR2 2718/4885
US-20070299063-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS MAPT 4844/4885ALOX15 3206/4885CXCR2 1690/4885
US-20100267793-A1 METHOD OF TREATMENT USING N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS MAP3K19, BRAF, MAP3K9 MAPT 4824/4885ALOX15 1928/4885CXCR2 1178/4885

“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.