SCHEMBL16740508

SCHEMBL16740508

CCOC(=O)c1c(C2CC2)cn(COCC[Si](C)(C)C)c1C(Nc1cc(C)c2nnn(C)c2n1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.36
BRD2 P25440 11/20 0.36
BRD3 Q15059 12/20 0.36
CREBBP Q92793 4/20 0.36
DGAT1 O75907 4/20 0.34
KLKB1 P03952 1/20 0.31

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
SCHEMBL16740421 0.92 BRD4 (0.37) BRD4BRD2BRD3CREBBPDGAT1
SCHEMBL16740427 0.82 BRD4 (0.45) BRD4BRD2BRD3CREBBP
SCHEMBL16740538 0.82 BRD3 (0.41) BRD4BRD2BRD3CREBBPDGAT1
SCHEMBL16740431 0.79 BRD4 (0.44) BRD4BRD2BRD3CREBBP
SCHEMBL16740429 0.79 DGAT1 (0.39) DGAT1
SCHEMBL16740574 0.78 BRD4 (0.43) BRD4BRD2BRD3CREBBP
SCHEMBL16740564 0.77 BRD4 (0.39) BRD4BRD2BRD3CREBBP
SCHEMBL16740438 0.75 BRD4 (0.46) BRD4BRD2BRD3CREBBP
SCHEMBL17686199 0.72 BRD2 (0.38) BRD4BRD2BRD3CREBBP
SCHEMBL16740446 0.72 BRD3 (0.36) BRD4BRD2BRD3CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2016-09-29 US disclosed
EP-3071571-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS Novartis AG (CH) 2016-09-28 EP disclosed
WO-2015075665-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2015-05-28 WO 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-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, PHKB, TMPO BRD4 5/4885BRD2 16/4885BRD3 12/4885

“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.