SCHEMBL16740530

SCHEMBL16740530

Cc1cc(NC(c2ccc(Cl)cc2)c2c(C(=O)O)c(C(=O)O)cn2C)nc2c1nnn2C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 16/20 0.43
BRD4 O60885 15/20 0.43
BRD2 P25440 12/20 0.43
CREBBP Q92793 7/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 2/20 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
SCHEMBL16740574 0.86 BRD4 (0.43) BRD3BRD4BRD2CREBBPMEN1
SCHEMBL16740431 0.84 BRD4 (0.44) BRD3BRD4BRD2CREBBP
SCHEMBL16740457 0.83 BRD3 (0.41) BRD3BRD4BRD2CREBBPMEN1
SCHEMBL16740438 0.82 BRD4 (0.46) BRD3BRD4BRD2CREBBPKEAP1
SCHEMBL16740478 0.81 BRD3 (0.40) BRD3BRD4BRD2CREBBP
SCHEMBL16268422 0.79 CREBBP (0.35) BRD3BRD4BRD2CREBBPKEAP1
SCHEMBL16740529 0.77 BRD3 (0.46) BRD3BRD4BRD2CREBBPMEN1
SCHEMBL16268718 0.76 BRD4 (0.33) BRD3BRD4BRD2CREBBPKEAP1
SCHEMBL16740427 0.76 BRD4 (0.45) BRD3BRD4BRD2CREBBP
SCHEMBL16740564 0.74 BRD4 (0.39) BRD3BRD4BRD2CREBBPMEN1

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 12/4885BRD4 5/4885BRD2 16/4885

“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.