SCHEMBL1874116

SCHEMBL1874116

CNCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.85
BRD2 P25440 2/20 0.85
SMCHD1 A6NHR9 1/20 0.85
MYO1G B0I1T2 1/20 0.85
AIP O00170 1/20 0.85
AP3B1 O00203 1/20 0.85
PSMD11 O00231 1/20 0.85
CDC7 O00311 1/20 0.85
SAP18 O00422 1/20 0.85
KPNA3 O00505 1/20 0.85
PPP6C O00743 1/20 0.85
TCERG1 O14776 1/20 0.85
UBE2L6 O14933 1/20 0.85
PPP1R12A O14974 1/20 0.85
U2SURP O15042 1/20 0.85
SETD1A O15047 1/20 0.85
ARPC1B O15143 1/20 0.85
POLR1C O15160 1/20 0.85
OGT O15294 1/20 0.85
PPM1G O15355 1/20 0.85

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
SCHEMBL12671221 1.00 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
Trifluoroacetic Acid SCHEMBL12804010 0.95 BRD4 (0.78) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL25215661 0.95 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL15980892 0.95 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL14756335 0.95 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL14756293 0.94 BRD4 (0.83) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL15980893 0.94 BRD4 (0.86) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL15970073 0.94 BRD4 (0.83) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL15981844 0.94 BRD4 (0.83) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL14756327 0.94 BRD4 (0.83) BRD4BRD2SMCHD1MYO1GAIP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145021-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC 2017-05-25 US disclosed
US-9598420-B2 Benzodiazepine bromodomain inhibitor GLAXOSMITHKLINE LLC (US) 2017-03-21 US disclosed
EP-3050885-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR Glaxosmithkline LLC (US) 2016-08-03 EP disclosed
EP-2496582-B1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2016-01-27 EP disclosed
US-20150299210-A1 Benzodiazepine Bromodomain Inhibitor GLAXOSMITHKLINE LLC 2015-10-22 US disclosed
US-9102677-B2 Benzodiazepine bromodomain inhibitor GLAXOSMITHKLINE LLC (US) 2015-08-11 US disclosed
US-20120252781-A1 Benzodiazepine Bromodomain Inhibitor GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120252781-A1 Benzodiazepine Bromodomain Inhibitor GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2496582-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
WO-2011054845-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR 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 (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-20150299210-A1 Benzodiazepine Bromodomain Inhibitor GABRB1, GABRB3, GABRB2 BRD4 4/4885BRD2 18/4885SMCHD1 3925/4885
US-20170145021-A1 NOVEL COMPOUNDS GABRE, GABRA1, GABRA6 BRD4 642/4885BRD2 1190/4885SMCHD1 4844/4885
US-20120252781-A1 Benzodiazepine Bromodomain Inhibitor GABRB1, GABRB3, GABRB2 BRD4 4/4885BRD2 18/4885SMCHD1 3925/4885

“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.