SCHEMBL17807883

SCHEMBL17807883

NNC(=O)c1ccc2ncn(Cc3ccccc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.58
HDAC6 Q9UBN7 1/20 0.58
FLT3 P36888 1/20 0.55
TNF P01375 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
IDO1 P14902 5/20 0.54
NR1I2 O75469 2/20 0.50
PPARG P37231 2/20 0.49
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.49
CNR1 P21554 1/20 0.48
ERBB2 P04626 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL1607589 0.90 HDAC1 (0.73) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL1608848 0.87 CYP11B1 (0.60) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL30202437 0.84 BRD4 (0.59) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL17807884 0.84 BRD4 (0.59) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL17813526 0.82 HDAC1 (0.50) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL18898696 0.80 HDAC1 (0.48) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL1607561 0.80 HDAC1 (0.62) HDAC1HDAC6FLT3IDO1CNR1
SCHEMBL1608602 0.79 SMN1; SMN2 (0.60) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL30202327 0.79 CYP11B1 (0.51) HDAC1HDAC6FLT3TNFCYP11B1
SCHEMBL28987154 0.79 CYP11B1 (0.51) HDAC1HDAC6FLT3TNFCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2021-06-17 US disclosed
US-10772892-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2020-09-15 US disclosed
US-10363257-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-07-30 US disclosed
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 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 (7 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-10363257-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 HDAC1 34/4885HDAC6 125/4885FLT3 903/4885
US-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 HDAC1 34/4885HDAC6 125/4885FLT3 903/4885
US-10772892-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 HDAC1 34/4885HDAC6 125/4885FLT3 903/4885
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HDAC1 30/4885HDAC6 140/4885FLT3 1121/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HDAC1 30/4885HDAC6 140/4885FLT3 1121/4885
US-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HDAC1 30/4885HDAC6 140/4885FLT3 1121/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HDAC1 30/4885HDAC6 140/4885FLT3 1121/4885

“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.