SCHEMBL16740475

SCHEMBL16740475

CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)cn(C)c1C(Nc1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.40
BRD3 Q15059 13/20 0.40
CREBBP Q92793 13/20 0.40
BRD2 P25440 10/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX3 P56373 2/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL18092390 0.92 BRD4 (0.41) BRD4BRD3CREBBPBRD2P2RX3
SCHEMBL16740496 0.89 BRD4 (0.46) BRD4BRD3CREBBPBRD2
SCHEMBL16740509 0.85 BRD3 (0.40) BRD4BRD3CREBBPBRD2
SCHEMBL16740564 0.83 BRD4 (0.39) BRD4BRD3CREBBPBRD2MEN1
SCHEMBL16740477 0.79 ALDH1A1 (0.43) MEN1ALDH1A1LMNAGAAKMT2A
SCHEMBL16740543 0.77 BRD3 (0.41) BRD4BRD3CREBBPBRD2
SCHEMBL16740538 0.77 BRD3 (0.41) BRD4BRD3CREBBPBRD2
SCHEMBL16740494 0.76 BRD4 (0.39) BRD4BRD3CREBBPBRD2MEN1
SCHEMBL16740478 0.75 BRD3 (0.40) BRD4BRD3CREBBPBRD2P2RX3
SCHEMBL16740498 0.74 BRD3 (0.43) BRD4BRD3CREBBPBRD2

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 5/4885BRD3 12/4885CREBBP 577/4885

“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.