SCHEMBL5503154

SCHEMBL5503154

Cc1cc(-c2c(C)noc2C)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.57
BRD2 P25440 8/20 0.57
BRD3 Q15059 5/20 0.57
JAK2 O60674 1/20 0.56
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CREBBP Q92793 3/20 0.50
ERN1 O75460 1/20 0.50
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47

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
SCHEMBL20093786 0.88 JAK2 (0.57) BRD4BRD2BRD3JAK2TSHR
SCHEMBL22497644 0.86 BRD4 (0.61) BRD4BRD2BRD3JAK2CREBBP
SCHEMBL30545927 0.86 BRD4 (0.61) BRD4BRD2BRD3JAK2CREBBP
SCHEMBL15782904 0.84 BRD4 (0.62) BRD4BRD2BRD3JAK2CREBBP
SCHEMBL15653363 0.81 ALDH1A1 (0.56) BRD4BRD2BRD3JAK2ALDH1A1
SCHEMBL16259209 0.80 BRD4 (0.51) BRD4BRD2BRD3JAK2CREBBP
SCHEMBL20362718 0.79 BRD4 (0.49) BRD4BRD2BRD3JAK2CREBBP
SCHEMBL13036077 0.79 BRD4 (0.56) BRD4BRD2BRD3JAK2CREBBP
SCHEMBL3885694 0.78 BRD4 (0.66) BRD4BRD2BRD3JAK2CREBBP
SCHEMBL22855856 0.78 JAK2 (0.51) BRD4BRD2BRD3JAK2CREBBP

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-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-01-01 US disclosed
US-9999616-B2 2018-06-19 US disclosed
US-9999616-B2 2018-06-19 US disclosed
EP-2964222-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 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 (4 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 BRD4 933/4885BRD2 1497/4885BRD3 1323/4885
US-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885BRD3 2/4885
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885BRD3 2/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885BRD3 2/4885

“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.