SCHEMBL13028876

SCHEMBL13028876

COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(Cl)c2C)-n2c(C)nnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 1.00
ADORA3 P0DMS8 1/20 0.86
TSPO P30536 1/20 0.86
BRDT Q58F21 7/20 0.77
BRD2 P25440 4/20 0.73
BRD3 Q15059 3/20 0.71
CREBBP Q92793 2/20 0.71
DNER Q8NFT8 2/20 0.71
HDAC3 O15379 1/20 0.71
JAK2 O60674 1/20 0.71
BRD1 O95696 1/20 0.71
CCL2 P13500 1/20 0.71
HDAC4 P56524 1/20 0.71
EP300 Q09472 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71

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
SCHEMBL17051091 0.93 BRD4 (1.00) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL19465691 0.93 BRD4 (1.00) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL12228301 0.93 BRD4 (1.00) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL23317926 0.91 BRD4 (0.83) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL21501429 0.90 BRD4 (0.82) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL22054914 0.90 BRD4 (0.82) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL22054919 0.90 BRD4 (0.82) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL23657100 0.90 BRD4 (0.82) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL24353326 0.90 BRD4 (0.82) BRD4ADORA3TSPOBRDTBRD2
SCHEMBL12228305 0.90 BRD4 (0.82) BRD4ADORA3TSPOBRDTBRD2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968620-B2 Methods of treating lymphoma using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-05-15 US disclosed
US-9968620-B2 Methods of treating lymphoma using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-05-15 US disclosed
US-9968619-B2 Method of treating triple-negative breast cancer using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-05-15 US disclosed
US-9968619-B2 Method of treating triple-negative breast cancer using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-05-15 US disclosed
US-9956228-B2 Method of treating acute myeloid leukemia and/or acute lymphoblastic leukemia using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-05-01 US disclosed
US-9956228-B2 Method of treating acute myeloid leukemia and/or acute lymphoblastic leukemia using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-05-01 US disclosed
US-9901583-B2 Method of treating non-small cell lung cancer and/or small cell lung cancer using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-02-27 US disclosed
US-9901583-B2 Method of treating non-small cell lung cancer and/or small cell lung cancer using thienotriazolodiazepine compounds ONCOETHIX GMBH (CH) 2018-02-27 US disclosed
US-9820992-B2 Method of treating non-small-cell lung cancer using pharmaceutical formulation containing thienotriazolodiazepine compounds MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-9820992-B2 Method of treating non-small-cell lung cancer using pharmaceutical formulation containing thienotriazolodiazepine compounds MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
WO-2015168587-A1 METHOD OF TREATING RESISTANT MULTIPLE MYELOMA AND MANTLE CELL LYMPHOMA USING THIENOTRIAZOLODIAZEPINE COMPOUNDS ONCOETHIX SA (CH) 2015-11-05 WO disclosed
US-9125915-B2 Antitumor agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-09-08 US disclosed
US-9125915-B2 Antitumor agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-09-08 US disclosed
US-20130261109-A1 ANTITUMOR AGENT MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-03 US disclosed
US-20130261109-A1 ANTITUMOR AGENT MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-03 US disclosed
US-8476260-B2 Antitumor agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-02 US disclosed
US-8476260-B2 Antitumor agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-02 US disclosed
US-20100286127-A1 ANTITUMOR AGENT MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-11-11 US disclosed
US-20100286127-A1 ANTITUMOR AGENT MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-11-11 US disclosed
EP-2239264-A1 ANTITUMOR AGENT Mitsubishi Tanabe Pharma Corporation (JP) 2010-10-13 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 (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-20130261109-A1 ANTITUMOR AGENT BRPF3, BRDT, BRD4 BRD4 3/4885ADORA3 3430/4885TSPO 3011/4885
US-20100286127-A1 ANTITUMOR AGENT BRDT, HDAC1, BRPF3 BRD4 4/4885ADORA3 3996/4885TSPO 2139/4885

“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.