SCHEMBL16740574

SCHEMBL16740574

CCOC(=O)c1cn(C)c(C(Nc2cc(C)c3nnn(C)c3n2)c2ccc(Cl)cc2)c1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.43
BRD2 P25440 7/20 0.43
BRD3 Q15059 9/20 0.40
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
CREBBP Q92793 3/20 0.34
P2RX3 P56373 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL16740431 0.94 BRD4 (0.44) BRD4BRD2BRD3S1PR1S1PR3
SCHEMBL16740530 0.86 BRD3 (0.43) BRD4BRD2BRD3CREBBPMEN1
SCHEMBL16740427 0.85 BRD4 (0.45) BRD4BRD2BRD3S1PR1S1PR3
SCHEMBL16740428 0.85 BRD3 (0.39) BRD4BRD2BRD3S1PR1S1PR3
SCHEMBL16740564 0.83 BRD4 (0.39) BRD4BRD2BRD3ALDH1A1SMN1; SMN2
SCHEMBL16740421 0.81 BRD4 (0.37) BRD4BRD2BRD3S1PR1S1PR3
SCHEMBL17686199 0.80 BRD2 (0.38) BRD4BRD2BRD3S1PR1S1PR3
SCHEMBL16740484 0.79 BRD3 (0.43) BRD4BRD2BRD3S1PR1S1PR3
SCHEMBL16740508 0.78 BRD4 (0.36) BRD4BRD2BRD3CREBBP
SCHEMBL16268447 0.78 BRD4 (0.37) BRD4BRD2BRD3S1PR1S1PR3

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.