SCHEMBL16707161

SCHEMBL16707161

COC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(N3CCOC[C@@H]3C)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 4/20 0.75

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
SCHEMBL19672499 0.94 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707156 0.94 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707174 0.90 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707170 0.90 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707178 0.89 BRD4 (0.81) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707151 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707148 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL19672417 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL16707163 0.88 BRD4 (1.00) BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL15722556 0.86 BRD4 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.