SCHEMBL3280322

SCHEMBL3280322

CCOC(=O)c1c(C=O)c2cc(F)ccc2n1Cc1csc2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 7/20 0.41
HK1 P19367 2/20 0.41
HKDC1 Q2TB90 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 8/20 0.39
KDM4E B2RXH2 4/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 5/20 0.39
CA2 P00918 1/20 0.38
ELANE P08246 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TP53 P04637 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
SCHEMBL3276110 0.94 KMT2A (0.67) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL3277772 0.85 MTNR1A (0.41) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL3274973 0.83 MTNR1A (0.42) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL3275788 0.82 CA2 (0.45) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL3283233 0.81 MAPT (0.39) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL3276514 0.81 MTNR1A (0.42) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL3275378 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1HK1HKDC1
SCHEMBL3276437 0.80 MEN1 (0.47) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL3283231 0.79 MTNR1A (0.39) KMT2AMEN1MTNR1AMTNR1BALDH1A1
SCHEMBL15512655 0.79 KMT2A (0.68) KMT2AMEN1MTNR1AMTNR1BALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 KMT2A 3786/4885MEN1 2461/4885MTNR1A 147/4885

“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.