SCHEMBL17813480

SCHEMBL17813480

Cc1ccc2c(n1)N(C)CCN2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CCR1 P32246 1/20 0.30
CCR5 P51681 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
SCHEMBL7923054 0.81 HRH4 (0.33) RAB9AKMT2AHRH4HTR2AHTR2C
SCHEMBL20571883 0.81 HTR2A (0.37) RAB9AMEN1GFERKMT2AALOX5
SCHEMBL17813470 0.77 MEN1 (0.36) RAB9AMEN1GFERKMT2A
SCHEMBL22442223 0.77 PARP1 (0.46) ALOX5PARP1
SCHEMBL22050068 0.77 HTR2A (0.37) RAB9AMEN1GFERKMT2AHRH4
SCHEMBL20572040 0.73 MEN1 (0.35) RAB9AMEN1GFERKMT2A
SCHEMBL12405333 0.73 MEN1 (0.38) RAB9AMEN1GFERKMT2AHTR2A
SCHEMBL20572242 0.72 MAPT (0.46)
SCHEMBL17813469 0.71 MEN1 (0.44) RAB9AMEN1GFERKMT2AALOX5
SCHEMBL5847666 0.71 ALOX5 (0.39) RAB9AMEN1GFERKMT2AALOX5

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 RAB9A 3185/4885MEN1 3226/4885GFER 4843/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 RAB9A 3185/4885MEN1 3226/4885GFER 4843/4885

“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.