SCHEMBL18319367

SCHEMBL18319367

Cc1noc(C)c1-c1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
BRD4 O60885 7/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD2 P25440 2/20 0.37
MBOAT4 Q96T53 1/20 0.37
JAK2 O60674 1/20 0.36
TLR8 Q9NR97 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
ALDH1A1 P00352 2/20 0.36
BRD3 Q15059 1/20 0.35
AR P10275 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL18319705 0.83 ERN1 (0.43) ERN1BRD4TDP1BRD2ALDH1A1
SCHEMBL17875697 0.81 ALDH1A1 (0.39) ERN1BRD4TDP1BRD2MBOAT4
SCHEMBL17875696 0.77 BRD4 (0.44) BRD4BRD2MBOAT4JAK2TLR8
SCHEMBL11240092 0.75 TSHR (0.39) TDP1ALDH1A1MEN1TSHRKMT2A
SCHEMBL18319531 0.75 ERN1 (0.38) ERN1BRD4TDP1BRD2TLR8
SCHEMBL18319456 0.75 LMNA (0.47) BRD4BRD2ALDH1A1
SCHEMBL18319509 0.75 CYP1A2 (0.36) ERN1BRD4TDP1BRD2ALDH1A1
SCHEMBL29741402 0.75 ERN1 (0.52) ERN1BRD4TDP1BRD2JAK2
SCHEMBL20094000 0.75 ERN1 (0.52) ERN1BRD4TDP1BRD2JAK2
SCHEMBL18319709 0.74 CYP1A2 (0.42) ERN1BRD4TDP1BRD2ALDH1A1

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-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
WO-2016203335-A1 NOVEL PYRIDO[2,3-B]PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 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-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS BRD4, BRD3, BET1 ERN1 1804/4885BRD4 1/4885TDP1 868/4885

“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.