SCHEMBL7094959

SCHEMBL7094959

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=S)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.57
BRD4 O60885 8/20 0.56
BRD2 P25440 8/20 0.56
BRD3 Q15059 8/20 0.56
SENP1 Q9P0U3 1/20 0.56
CCKAR P32238 4/20 0.51
CHRM1 P11229 1/20 0.49
SCN9A Q15858 1/20 0.48

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
SCHEMBL8682571 1.00 CCKBR (0.57) CCKBRBRD4BRD2BRD3SENP1
SCHEMBL8682574 1.00 CCKBR (0.57) CCKBRBRD4BRD2BRD3SENP1
SCHEMBL11961521 0.93 BRD4 (0.55) CCKBRBRD4BRD2BRD3SENP1
SCHEMBL9469880 0.89 CCKBR (0.62) CCKBRCCKAR
SCHEMBL9525844 0.89 CCKBR (0.62) CCKBRCCKAR
SCHEMBL11981798 0.89 CCKBR (0.49) CCKBRBRD4BRD2BRD3SENP1
SCHEMBL1574399 0.89 CCKBR (0.65) CCKBRSENP1CCKAR
SCHEMBL641969 0.89 CCKBR (0.65) CCKBRSENP1CCKAR
SCHEMBL8711252 0.89 CCKBR (0.65) CCKBRSENP1CCKAR
Water SCHEMBL9229371 0.88 CCKBR (0.64) CCKBRSENP1CCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695179-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2017-07-04 US disclosed
US-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2016-01-28 US disclosed
EP-0730454-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP disclosed
US-5834464-A ANXIOLYTIC AGENTS, CHOLECYSTOKININ B ANTAGONISTS MERCK & CO., INC. (US) 1998-11-10 US disclosed
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
US-5679672-A ANITARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1997-10-21 US disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 US disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5439906-A Antiarrhythmic benzodiazepines MERCK & CO., INC. (US) 1995-08-08 US disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014693-A1 IMIDAZOLINOBENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
US-5185331-A Administering to treat panic and anxiety disorders MERCK & CO., INC. (US) 1993-02-09 US disclosed
EP-0514125-A1 Triazolobenzodiazepines MERCK & CO. INC. (US) 1992-11-19 EP 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 (1 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-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, BRD3, BRDT CCKBR 3917/4885BRD4 4/4885BRD2 5/4885

“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.