SCHEMBL16707142

SCHEMBL16707142

COC[C@H](C)Nc1cc2c(cc1N)C(C)(C)C(=O)N2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
HCAR3 P49019 2/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
HDAC1 Q13547 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL19672501 1.00 BRD4 (0.40) BRD4HCAR3BACE1BACE2HDAC1
SCHEMBL19672457 0.87 BRD4 (0.39) BRD4HCAR3HDAC1
SCHEMBL16703654 0.87 BRD4 (0.39) BRD4HCAR3HDAC1
SCHEMBL22969294 0.82 HCAR3 (0.47) BRD4HCAR3
SCHEMBL19672467 0.77 BRD4 (0.40) BRD4HCAR3
SCHEMBL20105148 0.77 SLC6A4 (0.39) SLC6A4SLC6A2
SCHEMBL17254682 0.77 SLC6A4 (0.39) SLC6A4SLC6A2
SCHEMBL16707133 0.77 BRD4 (0.40) BRD4HCAR3
SCHEMBL4508323 0.77 MARK3 (0.35) BRD4SLC6A4SLC6A2
SCHEMBL2488278 0.68 TDP1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210038602-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-11 US disclosed
WO-2019145410-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-01 WO disclosed
EP-3140304-B1 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2018-05-02 EP disclosed
EP-3066104-B1 TRIAZOLOPYRAZINE DERIVATIVES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-12-06 EP disclosed
US-9428513-B2 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-30 US disclosed
US-9428513-B2 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-30 US disclosed
US-9428515-B2 Benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-30 US disclosed
US-9428515-B2 Benzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-30 US disclosed
US-20150322073-A1 Benzimidazole Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 US disclosed
US-20150322073-A1 Benzimidazole Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 US disclosed
WO-2015169962-A1 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-12 WO disclosed
WO-2015067770-A1 TRIAZOLOPYRAZINE DERIVATIVES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-14 WO disclosed
US-20150133447-A1 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-14 US disclosed
US-20150133447-A1 Triazolopyrazine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-14 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-20210038602-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BRD4, MCL1, BET1 BRD4 1/4885HCAR3 1489/4885BACE1 4783/4885
US-20150133447-A1 Triazolopyrazine MKI67, TPX2, CCND3 BRD4 1706/4885HCAR3 1037/4885BACE1 4184/4885
US-20150322073-A1 Benzimidazole Derivatives MKI67, CCNI, CCND1 BRD4 78/4885HCAR3 3403/4885BACE1 2701/4885

“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.