SCHEMBL387684

SCHEMBL387684

Cn1c(Nc2ccc(Br)cc2F)c(C(=O)O)ccc1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.58
MAP2K2 P36507 2/20 0.53
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL388850 0.88 MAP2K1 (0.51) MAP2K1MAP2K2L3MBTL1
SCHEMBL27679386 0.88 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL3456426 0.86 MAP2K1 (0.53) MAP2K1MAP2K2
SCHEMBL3456059 0.85 MAP2K1 (0.61) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL486563 0.85 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL29425363 0.85 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL13070282 0.85 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL3455931 0.84 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL393267 0.84 MAP2K1 (0.60) MAP2K1MAP2K2ALOX15TSHR
SCHEMBL2361868 0.83 MAP2K1 (0.52) MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP claimed
EP-1682138-B3 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2013-01-09 EP claimed
CN-102633716-A Bicyclic inhibitors of mek and methods of use thereof ARRAY BIOPHARMA INC 2012-08-15 CN claimed
US-8211921-B2 Heterocyclic inhibitors of MEK and methods of use ARRAY BIOPHARMA INC. (US) 2012-07-03 US claimed
US-8211920-B2 6-oxo-1,6-dihydropyridine derivatives as inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-07-03 US claimed
EP-2251327-A2 Heterocyclic inhibitors of MEK and methods of use thereof Array Biopharma, Inc. (US) 2010-11-17 EP claimed
US-20090215834-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-08-27 US claimed
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2009-05-21 US claimed
JP-2007511614-A 2007-05-10 JP claimed
CN-1905873-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2007-01-31 CN claimed
EP-1682138-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-24 EP claimed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 EP claimed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 US claimed
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-10 US claimed
WO-2005051301-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 WO claimed
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 US disclosed
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-10 US disclosed
WO-2005051301-A2 HETEROCYCLIC 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 (4 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-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE NRAS, BRAF, MAPK9 MAP2K1 88/4885MAP2K2 71/4885NPC1 3788/4885
US-20050250782-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 87/4885MAP2K2 73/4885NPC1 3766/4885
US-20090215834-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 MAP2K1 100/4885MAP2K2 78/4885NPC1 3910/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 MAP2K1 82/4885MAP2K2 69/4885NPC1 3914/4885

“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.