SCHEMBL9896963

SCHEMBL9896963

COc1cc(-c2ncnc3c(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 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
PARP1 P09874 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL9898441 0.97 SCN9A (0.40) SCN9AUSP30GPR119PARP1L3MBTL1
SCHEMBL9896450 0.93 USP30 (0.40) SCN9AUSP30GPR119PARP1L3MBTL1
SCHEMBL9898068 0.93 L3MBTL1 (0.44) L3MBTL1LMNAMAPTPOLBMAPK1
SCHEMBL16223987 0.91 SCN9A (0.35) SCN9AUSP30GPR119BRD4MAPT
SCHEMBL9896761 0.91 SCN9A (0.41) SCN9AUSP30PARP1L3MBTL1LMNA
SCHEMBL9896452 0.91 MAPK1 (0.35) L3MBTL1LMNAMAPTPOLBMAPK1
SCHEMBL9899081 0.91 CDK9 (0.36) L3MBTL1LMNAPOLBMAPK1
SCHEMBL9897296 0.90 EPHX2 (0.38) L3MBTL1LMNAPOLBMAPK1
SCHEMBL9897303 0.90 L3MBTL1 (0.44) L3MBTL1LMNAMAPTPOLBMAPK1
SCHEMBL9896636 0.90 SCN9A (0.42) SCN9AUSP30GPR119TBK1

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 2014/4885USP30 3041/4885GPR119 2317/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A SCN9A 2421/4885USP30 3451/4885GPR119 3485/4885

“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.