SCHEMBL1906290

SCHEMBL1906290

CCOC(=O)c1cnc2cc(-c3c(C)noc3C)ccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
CYP2C9 P11712 3/20 0.53
BRD4 O60885 11/20 0.51
BRD2 P25440 7/20 0.51
BRD3 Q15059 3/20 0.51
CREBBP Q92793 4/20 0.50
SLC2A1 P11166 1/20 0.48
FTO Q9C0B1 1/20 0.48
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ERN1 O75460 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL1906827 0.88 CYP3A4 (0.52) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1904100 0.85 BRD4 (0.63) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL11980662 0.84 BRD4 (0.46) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18249954 0.82 BRD4 (0.44) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18249930 0.81 FTO (0.46) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1902486 0.81 BRD4 (0.55) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2731881 0.80 BRD4 (0.74) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL27994454 0.78 CA12 (0.54) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL5767699 0.78 MAPK1 (0.55) CYP3A4CYP2C9MEN1KMT2AATM
SCHEMBL10341241 0.77 MEN1 (0.46) MEN1KMT2AATML3MBTL1ALDH1A1

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
EP-2496576-B1 IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-12-18 EP disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
EP-2496576-A1 IMIDAZO [4, 5-C]QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB CYP3A4 163/4885CYP2C9 284/4885BRD4 1425/4885
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors BRD4, BRD3, BRPF3 CYP3A4 1579/4885CYP2C9 3411/4885BRD4 1/4885

“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.