SCHEMBL9896761

SCHEMBL9896761

COc1cc(-c2nc(C)nc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
PARP1 P09874 2/20 0.39
USP30 Q70CQ3 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.36
MERTK Q12866 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
BRD4 O60885 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
DNMT3A Q9Y6K1 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
SCHEMBL9899877 0.97 SCN9A (0.39) SCN9APARP1USP30L3MBTL1LMNA
SCHEMBL9896963 0.91 SCN9A (0.41) SCN9APARP1USP30L3MBTL1LMNA
SCHEMBL9896392 0.91 FFAR4 (0.36) L3MBTL1LMNAMAPTPOLBMAPK1
SCHEMBL9897924 0.91 HPGDS (0.36) L3MBTL1LMNAPOLBMAPK1
SCHEMBL16223963 0.91 SCN9A (0.34) SCN9APARP1USP30BRD4SUV39H2
SCHEMBL9898251 0.90 EPHX2 (0.38) L3MBTL1LMNAPOLBMAPK1
SCHEMBL9897842 0.90 CCNT1 (0.37) L3MBTL1LMNAPOLBMAPK1
SCHEMBL1441956 0.89 MAPK1 (0.34) L3MBTL1LMNABRD4POLBMAPK1
SCHEMBL9898441 0.88 SCN9A (0.40) SCN9APARP1USP30L3MBTL1LMNA
SCHEMBL9898789 0.88 EPHX2 (0.35) L3MBTL1LMNABRD4POLBMAPK1

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
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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 (2 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A SCN9A 2014/4885PARP1 255/4885USP30 3041/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A SCN9A 2421/4885PARP1 630/4885USP30 3451/4885

“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.