SCHEMBL16738693

SCHEMBL16738693

Fc1ccc(Oc2cc3nc[nH]c3cc2Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.46
EPAS1 Q99814 1/20 0.43
MAPT P10636 1/20 0.41
QPCT Q16769 1/20 0.38
CDK1 P06493 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PSMD11 O00231 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL16738686 0.78 EPAS1 (0.43) TRPA1EPAS1MAP4K4
SCHEMBL28508368 0.76 TRPA1 (0.43) TRPA1EPAS1
SCHEMBL28518271 0.76 TRPA1 (0.44) TRPA1EPAS1MAPTMAP4K4
SCHEMBL14723315 0.76 MAPT (0.56) MAPTQPCTCDK1PSMD11
SCHEMBL31150482 0.76 MAPT (0.56) MAPTQPCTCDK1PSMD11
SCHEMBL28512403 0.75 TRPA1 (0.56) TRPA1EPAS1
SCHEMBL16738736 0.73 EPAS1 (0.49) TRPA1EPAS1MAPT
SCHEMBL30194137 0.73 AXL (0.48) TRPA1EPAS1
SCHEMBL2443701 0.73 AXL (0.48) TRPA1EPAS1
SCHEMBL31153163 0.72 MAPT (0.61) MAPTQPCTCDK1PSMD11

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 TRPA1 4133/4885EPAS1 1840/4885MAPT 1648/4885
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 TRPA1 4133/4885EPAS1 1840/4885MAPT 1648/4885

“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.