SCHEMBL13747710

SCHEMBL13747710

COc1cc(Br)cc(C(C)C)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL3640929 0.87 GABRA1 (0.54) GABRA1GABRB1ALOX15ALOX12POLB
SCHEMBL429756 0.80 ACHE (0.59) ALOX15ALOX12TUBB4ATUBBTUBA3C
SCHEMBL25834787 0.80 GABRA1 (0.47) GABRA1GABRB1ALOX15ALOX12POLB
SCHEMBL18878389 0.78 GABRA1 (0.67) GABRA1GABRB1ALOX15ALOX12POLB
SCHEMBL282529 0.78 GABRA1 (0.45) GABRA1GABRB1POLBGAAGFER
SCHEMBL1337032 0.78 ACHE (0.56) ALOX15ALOX12TUBB4ATUBBTUBA3C
SCHEMBL6947358 0.78 ACHE (0.56) ALOX15ALOX12TUBB4ATUBBTUBA3C
SCHEMBL1620294 0.78 ALOX15 (0.37) ALOX15ALOX12TUBB4ATUBBTUBA3C
SCHEMBL24938248 0.78 CYP1A2 (0.46) POLBGAAGFERTUBB4ATUBB
SCHEMBL13816283 0.78 ACHE (0.41) GABRA1POLBGAAGFERTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
WO-2013016441-A1 HIV INTEGRASE INHIBITORY OXOISOINDOLINE SULFONAMIDES The United States of America, represented by The Secretary, Department of Health & Human Services (US) 2013-01-31 WO disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GABRA1 3062/4885GABRB1 3729/4885ALOX15 1098/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GABRA1 3062/4885GABRB1 3729/4885ALOX15 1098/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 GABRA1 3062/4885GABRB1 3729/4885ALOX15 1098/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GABRA1 3062/4885GABRB1 3729/4885ALOX15 1098/4885

“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.