SCHEMBL1438545

SCHEMBL1438545

CCc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(C)[nH]c23)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
PARP1 P09874 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
GPR119 Q8TDV5 2/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HASPIN Q8TF76 1/20 0.38
USP30 Q70CQ3 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL9897318 0.94 PARP1 (0.41) MAPTPARP1NPSR1L3MBTL1LMNA
SCHEMBL9895631 0.92 BRD4 (0.42) MAPTPARP1NPSR1L3MBTL1LMNA
SCHEMBL9896880 0.92 KMT2A (0.42) MAPTPARP1NPSR1L3MBTL1LMNA
SCHEMBL9899681 0.91 HDAC4 (0.40) MAPTPARP1NPSR1L3MBTL1LMNA
SCHEMBL9897160 0.91 MAPT (0.41) MAPTPARP1NPSR1L3MBTL1LMNA
SCHEMBL16224147 0.91 MAPT (0.33) MAPTPARP1NPSR1L3MBTL1LMNA
SCHEMBL16224048 0.90 POLB (0.39) L3MBTL1LMNAPOLBMAPK1MEN1
SCHEMBL9898574 0.90 POLB (0.39) L3MBTL1LMNAPOLBMAPK1MEN1
SCHEMBL9898452 0.90 PARP1 (0.41) MAPTPARP1NPSR1L3MBTL1LMNA
SCHEMBL9896573 0.90 EPHX2 (0.40) L3MBTL1LMNAPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
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
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO 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 MAPT 4595/4885PARP1 255/4885NPSR1 2486/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MAPT 4854/4885PARP1 630/4885NPSR1 2735/4885

“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.