SCHEMBL17813541

SCHEMBL17813541

Cc1ccc2c(n1)C(C)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
BRPF1 P55201 1/20 0.35
CREBBP Q92793 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GSK3B P49841 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PARP1 P09874 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 3/20 0.32
S100A4 P26447 1/20 0.32
CCR1 P32246 1/20 0.31
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8343884 0.79 S100A4 (0.37) PGRBRPF1CREBBPPDE3BPDE3A
SCHEMBL9109680 0.71 XIAP (0.51) BRPF1CREBBPPDE3BPDE3AGSK3B
SCHEMBL8313992 0.71 XIAP (0.51) BRPF1CREBBPPDE3BPDE3AGSK3B
SCHEMBL19153038 0.70 GSK3B (0.56) PGRBRPF1CREBBPGSK3BPARP1
SCHEMBL19153004 0.70 GSK3B (0.37) PGRBRPF1CREBBPPDE3BPDE3A
SCHEMBL17813545 0.69 PDE3B (0.36) PDE3BPDE3AGSK3B
SCHEMBL7921152 0.65 CCR1 (0.33) CCR1RAB9ACCR5KMT2A
SCHEMBL14169780 0.65 CREBBP (0.65) PGRBRPF1CREBBPGSK3BPARP1
SCHEMBL24112730 0.64 PGR (0.54) PGRCREBBPPDE3BPDE3APOLB
SCHEMBL9651557 0.64 PGR (0.54) PGRCREBBPPDE3BPDE3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PGR 3258/4885BRPF1 32/4885CREBBP 23/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PGR 3258/4885BRPF1 32/4885CREBBP 23/4885

“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.