SCHEMBL9101711

SCHEMBL9101711

Cc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(C)[nH]c23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
HASPIN Q8TF76 1/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
BRD4 O60885 1/20 0.40
EPHX2 P34913 1/20 0.40
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
GPR55 Q9Y2T6 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9103301 0.93 CCNT1 (0.44) PARP1L3MBTL1CCNCCDK8HASPIN
SCHEMBL9106967 0.92 MEN1 (0.43) PARP1L3MBTL1CCNCCDK8HASPIN
SCHEMBL9103522 0.90 KDM2B (0.41) L3MBTL1MEN1KMT2APOLBMAPK1
SCHEMBL9107708 0.90 KDM2B (0.39) L3MBTL1POLBMAPK1LMNA
SCHEMBL9897318 0.89 PARP1 (0.41) PARP1L3MBTL1CCNCCDK8HASPIN
SCHEMBL9107573 0.89 EPHX2 (0.39) L3MBTL1EPHX2POLBMAPK1LMNA
SCHEMBL9106705 0.89 CCNT1 (0.40) L3MBTL1MEN1KMT2APOLBMAPK1
SCHEMBL9101704 0.88 USP30 (0.41) PARP1L3MBTL1CCNCCDK8HASPIN
SCHEMBL9101391 0.88 SCN9A (0.41) PARP1L3MBTL1CCNCCDK8HASPIN
SCHEMBL9107145 0.88 SLC2A1 (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 PARP1 395/4885L3MBTL1 2949/4885CCNC 2565/4885

“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.