SCHEMBL17875696

SCHEMBL17875696

Cc1noc(C)c1-c1ccc(N)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.44
BRD2 P25440 2/20 0.44
JAK2 O60674 1/20 0.42
TLR8 Q9NR97 1/20 0.42
MBOAT4 Q96T53 1/20 0.41
CYP1A2 P05177 5/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDO2 P48775 1/20 0.39
MAP4K4 O95819 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL21188481 0.81 BRD4 (0.44) BRD4BRD2JAK2TLR8MBOAT4
SCHEMBL21188508 0.79 BRD4 (0.39) BRD4BRD2JAK2TLR8MBOAT4
SCHEMBL18319367 0.77 ERN1 (0.43) BRD4BRD2JAK2TLR8MBOAT4
SCHEMBL17875697 0.77 ALDH1A1 (0.39) BRD4BRD2JAK2TLR8MBOAT4
SCHEMBL18321177 0.74 CYP1A2 (0.41) BRD4BRD2TLR8MBOAT4CYP1A2
SCHEMBL18319439 0.74 TLR8 (0.39) BRD4BRD2TLR8MBOAT4CYP1A2
SCHEMBL30522617 0.74 BRD4 (0.46) BRD4BRD2JAK2TLR8CYP1A2
SCHEMBL29836739 0.74 BRD4 (0.46) BRD4BRD2JAK2TLR8MBOAT4
SCHEMBL17807849 0.72 CYP1A2 (0.61) BRD4CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL18319374 0.72 CYP1A2 (0.47) BRD4BRD2CYP1A2MEN1ALDH1A1

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 3/4885JAK2 1305/4885
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885JAK2 1613/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885JAK2 1613/4885

“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.