SCHEMBL16740428

SCHEMBL16740428

CCOC(=O)c1cn(C)c(C(Nc2cc(C)c3nnn(C)c3c2)c2ccc(Cl)cc2)c1C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 9/20 0.39
CREBBP Q92793 8/20 0.39
BRD4 O60885 9/20 0.37
BRD2 P25440 5/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
KEAP1 Q14145 2/20 0.35
P2RX3 P56373 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL16740457 0.85 BRD3 (0.41) BRD3CREBBPBRD4BRD2KEAP1
SCHEMBL16740574 0.85 BRD4 (0.43) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16268706 0.79 CREBBP (0.38) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16740498 0.78 BRD3 (0.43) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16740431 0.78 BRD4 (0.44) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16268508 0.78 CREBBP (0.41) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16271630 0.77 KDM4E (0.34) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16740450 0.75 S1PR1 (0.38) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16740509 0.74 BRD3 (0.40) BRD3CREBBPBRD4BRD2S1PR1
SCHEMBL16268442 0.73 CREBBP (0.50) BRD3CREBBPBRD4BRD2P2RX3

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 BRD3 12/4885CREBBP 577/4885BRD4 5/4885

“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.