SCHEMBL9106967

SCHEMBL9106967

COc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(C)[nH]c23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 1/20 0.41
STS P08842 1/20 0.41
PARP1 P09874 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CHEK2 O96017 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.39
EPHX2 P34913 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL9107145 0.94 SLC2A1 (0.41) MEN1KMT2ASLC2A1ALDH1A1STS
SCHEMBL9101711 0.92 PARP1 (0.42) MEN1KMT2AALDH1A1PARP1L3MBTL1
SCHEMBL9103301 0.91 CCNT1 (0.44) MEN1KMT2APARP1L3MBTL1CCNC
SCHEMBL9106837 0.91 KMT2A (0.39) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL9101757 0.91 HPGDS (0.44) MEN1KMT2AALDH1A1L3MBTL1CHEK2
SCHEMBL9896880 0.90 KMT2A (0.42) MEN1KMT2ASLC2A1ALDH1A1STS
SCHEMBL1437591 0.89 EPHX2 (0.42) KMT2AALDH1A1L3MBTL1MAPTEPHX2
SCHEMBL9106219 0.89 CCNT1 (0.42) KMT2AALDH1A1L3MBTL1MAPTNOS3
SCHEMBL9101391 0.89 SCN9A (0.41) PARP1L3MBTL1CCNCCDK8HASPIN
SCHEMBL9101704 0.89 USP30 (0.41) PARP1L3MBTL1CCNCCDK8HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MEN1 2045/4885KMT2A 1463/4885SLC2A1 4576/4885

“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.