SCHEMBL2268013

SCHEMBL2268013

Cc1ccc2[nH]c(=O)n(C)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRAF P15056 1/20 0.39
DAO P14920 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL31217710 0.80 KDM4E (0.58) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL14609834 0.80 KDM4E (0.58) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL5329685 0.80 KDM4E (0.58) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL8342710 0.79 ADORA3 (0.46) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL21285531 0.77 CYP1A2 (0.49) KDM4EGAALMNAMEN1KMT2A
SCHEMBL2272021 0.77 KDM4E (0.55) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL11223721 0.74 KDM4E (0.51) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL14855855 0.74 GAA (0.51) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL17813486 0.73 LMNA (0.53) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL16510484 0.72 KDM4E (0.46) KDM4EGAAPDE3BPDE3ALMNA

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-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
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO 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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH KDM4E 3151/4885GAA 3590/4885PDE3B 829/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KDM4E 367/4885GAA 3638/4885PDE3B 3972/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KDM4E 367/4885GAA 3638/4885PDE3B 3972/4885

“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.