SCHEMBL3276437

SCHEMBL3276437

CCOC(=O)c1c(CN)c2ccccc2n1Cc1csc2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ELANE P08246 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CA2 P00918 1/20 0.39
CMA1 P23946 1/20 0.37
HK1 P19367 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 2/20 0.36
ATM Q13315 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3277772 0.94 MTNR1A (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3279257 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3275372 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3283733 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3276081 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3276080 0.86 KMT2A (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3276110 0.85 KMT2A (0.67) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3277223 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3274973 0.83 MTNR1A (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3276972 0.80 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4EMAPT

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 MEN1 2461/4885KMT2A 3786/4885ALDH1A1 827/4885

“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.