SCHEMBL17875699

SCHEMBL17875699

Cc1nc2ccc(-c3c(C)noc3C)nc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
CYP1A2 P05177 8/20 0.39
CLK4 Q9HAZ1 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C19 P33261 5/20 0.38
CYP3A4 P08684 5/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2C9 P11712 2/20 0.38
ALOX15 P16050 3/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17698760 0.75 BRD4 (0.49) BRD4CYP1A2CLK4ALDH1A1MEN1
SCHEMBL21178664 0.74 NSD3 (0.46) BRD4BRD2CYP1A2CLK4ALDH1A1
SCHEMBL21178323 0.74 BRD4 (0.55) BRD4BRD2CREBBPCYP1A2CLK4
SCHEMBL17813464 0.74 BRD4 (0.45) BRD4BRD2CYP2C9
SCHEMBL24087353 0.73 JAK2 (0.42) BRD4BRD2CYP1A2CLK4ALDH1A1
SCHEMBL17875695 0.72 BRD4 (0.42) BRD4BRD2CYP1A2CLK4ALDH1A1
SCHEMBL20004259 0.72 BRD4 (0.62) BRD4BRD2CREBBPCYP1A2CLK4
SCHEMBL21188481 0.70 BRD4 (0.44) BRD4BRD2CREBBPCYP1A2CLK4
SCHEMBL19296089 0.70 BRD4 (0.44) BRD4BRD2CREBBPCYP1A2CLK4
SCHEMBL17807846 0.70 BRD4 (0.57) BRD4BRD2CREBBPCYP1A2CLK4

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 9 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
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

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-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885CREBBP 23/4885
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885CREBBP 21/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885CREBBP 21/4885

“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.