SCHEMBL16707151

SCHEMBL16707151

COC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(N3CCOCC3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 1.00
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 3/20 0.65

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
SCHEMBL16707148 1.00 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL19672363 0.93 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707152 0.93 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707155 0.93 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707181 0.90 BRD4 (0.85) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707161 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707173 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL19672547 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707147 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707179 0.88 BRD4 (0.81) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16

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 8 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-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
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 (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-20210038602-A1 COMBINATION TREATMENT OF ACUTE MYELOID LEUKEMIA BRD4, MCL1, BET1 BRD4 1/4885H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 801/4885
US-20150133447-A1 Triazolopyrazine MKI67, TPX2, CCND3 BRD4 1706/4885H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 548/4885

“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.