SCHEMBL16738686

SCHEMBL16738686

Fc1ccc(Oc2cc3nn[nH]c3cc2Br)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.43
TRPA1 O75762 10/20 0.41
MAPK14 Q16539 3/20 0.38
HSPB1 P04792 2/20 0.35
MAP4K4 O95819 1/20 0.34
AMY1A P0DUB6 1/20 0.34

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
SCHEMBL16738693 0.78 TRPA1 (0.46) EPAS1TRPA1MAP4K4
SCHEMBL28508368 0.76 TRPA1 (0.43) EPAS1TRPA1AMY1A
SCHEMBL2443701 0.76 AXL (0.48) EPAS1TRPA1MAPK14
SCHEMBL30194137 0.76 AXL (0.48) EPAS1TRPA1MAPK14
SCHEMBL25247956 0.76 ILK (0.33)
SCHEMBL31650791 0.76 ILK (0.33)
SCHEMBL16738736 0.73 EPAS1 (0.49) EPAS1TRPA1HSPB1
SCHEMBL2589396 0.72 EGLN1 (0.34)
SCHEMBL28512403 0.72 TRPA1 (0.56) EPAS1TRPA1HSPB1
SCHEMBL16738742 0.70 EPAS1 (0.51) EPAS1TRPA1MAPK14HSPB1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
WO-2015081189-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 WO disclosed
WO-2015081189-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 WO disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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 (2 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-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 EPAS1 1840/4885TRPA1 4133/4885MAPK14 2486/4885
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 EPAS1 1840/4885TRPA1 4133/4885MAPK14 2486/4885

“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.