SCHEMBL2441444

SCHEMBL2441444

Cc1cc(Oc2ccc(F)cc2F)c(Br)cc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.41
TRPA1 O75762 11/20 0.35
BRD4 O60885 2/20 0.34
HSPB1 P04792 2/20 0.33
MAPK14 Q16539 1/20 0.32
PTGS2 P35354 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL28507145 0.96 EPAS1 (0.44) EPAS1TRPA1BRD4HSPB1MAPK14
SCHEMBL28514839 0.83 SLC6A4 (0.40) EPAS1PTGS2
SCHEMBL2443815 0.76 EPAS1 (0.48) EPAS1TRPA1BRD4HSPB1
SCHEMBL680126 0.76 HTR2A (0.37)
SCHEMBL20384414 0.71 EPAS1 (0.55) EPAS1TRPA1HSPB1
Nitrogen SCHEMBL28507147 0.71 EPAS1 (0.45) EPAS1TRPA1HSPB1
SCHEMBL29094042 0.70 ACHE (0.31)
SCHEMBL29549341 0.70 HSPB1 (0.58) EPAS1HSPB1PTGS2
SCHEMBL2443486 0.70 HSPB1 (0.58) EPAS1HSPB1PTGS2
SCHEMBL16738742 0.68 EPAS1 (0.51) EPAS1TRPA1HSPB1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 EP disclosed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
US-8017641-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-13 US disclosed
US-7799782-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-21 US disclosed
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2009-06-11 US disclosed
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-11 US disclosed
US-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US disclosed
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed
EP-1883404-A1 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-02-06 EP disclosed
WO-2007126871-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-11-08 WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
US-20060264431-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2006-11-23 US disclosed
WO-2006122230-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-16 WO disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 EP disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 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 (5 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-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 EPAS1 1056/4885TRPA1 4069/4885BRD4 1259/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 EPAS1 1056/4885TRPA1 4069/4885BRD4 1259/4885
US-20060264431-A1 P38 inhibitors and methods of use thereof MAPK1, MAP3K1, MAP3K7 EPAS1 1504/4885TRPA1 4136/4885BRD4 1615/4885
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPK1, MAPK4, BRIX1 EPAS1 1265/4885TRPA1 3992/4885BRD4 1203/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 EPAS1 1433/4885TRPA1 3588/4885BRD4 1287/4885

“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.