SCHEMBL15836992

SCHEMBL15836992

Cc1onc(N)c1-c1ccc(CO)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
S1PR1 P21453 1/20 0.41
PIK3CA P42336 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
BRD4 O60885 2/20 0.39
JAK2 O60674 1/20 0.38
ACVRL1 P37023 1/20 0.35
RAB9A P51151 1/20 0.35
FYN P06241 1/20 0.35
USP7 Q93009 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL15816150 0.75 MAP4K4 (0.48) MAP4K4PIK3CAPI4KAPI4KBRAB9A
SCHEMBL10200524 0.73 MAP4K4 (0.56) MAP4K4BRD4JAK2USP7
SCHEMBL8784588 0.69 MAP4K4 (0.69) MAP4K4BRD4
SCHEMBL4018886 0.67 BRD4 (0.53) BRD4JAK2GPR55
SCHEMBL30522551 0.67 BRD4 (0.53) BRD4JAK2GPR55
SCHEMBL7944361 0.66 MAP4K4 (0.55) MAP4K4BRD4JAK2
SCHEMBL31434797 0.65 OXTR (0.44) PIK3CAPI4KAPI4KB
SCHEMBL30522586 0.64 PTGS2 (0.37) MAP4K4PIK3CABRD4RAB9AGPR55
SCHEMBL15815842 0.64 MAP4K4 (0.49) MAP4K4BRD4JAK2USP7
SCHEMBL21166 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9861637-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-01-09 US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 US disclosed
US-9598367-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-03-21 US disclosed
US-20160130228-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors ZENITH EPIGENETICS LTD. (CA) 2016-05-12 US disclosed
US-9271978-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS CORP. (CA) 2016-03-01 US disclosed
US-20140179648-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors RVX THERAPEUTICS INC. (CA) 2014-06-26 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 (3 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-20160130228-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors BRD4, BRDT, BRD3 MAP4K4 1544/4885S1PR1 3021/4885PIK3CA 3286/4885
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRDT, BRD3 MAP4K4 1544/4885S1PR1 3021/4885PIK3CA 3286/4885
US-20140179648-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors BRD4, BRDT, BRD3 MAP4K4 1544/4885S1PR1 3021/4885PIK3CA 3286/4885

“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.