SCHEMBL9897318

SCHEMBL9897318

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c(C)[nH]c23)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EPHX2 P34913 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 1/20 0.39
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HASPIN Q8TF76 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
SCHEMBL1438545 0.94 MAPT (0.41) PARP1MAPTNPSR1L3MBTL1GPR119
SCHEMBL9895631 0.93 BRD4 (0.42) PARP1MAPTNPSR1L3MBTL1GPR119
SCHEMBL9896880 0.92 KMT2A (0.42) PARP1MAPTNPSR1L3MBTL1EPHX2
SCHEMBL9897160 0.92 MAPT (0.41) PARP1MAPTNPSR1L3MBTL1GPR119
SCHEMBL9899681 0.92 HDAC4 (0.40) PARP1MAPTNPSR1L3MBTL1GPR119
SCHEMBL9898452 0.91 PARP1 (0.41) PARP1MAPTNPSR1L3MBTL1GPR119
SCHEMBL9898632 0.91 PARP1 (0.42) PARP1MAPTNPSR1L3MBTL1EPHX2
SCHEMBL16224224 0.91 KDM2B (0.35) PARP1MAPTNPSR1L3MBTL1LMNA
SCHEMBL9894959 0.90 LMNA (0.37) L3MBTL1LMNABRD4POLBMAPK1
SCHEMBL9897502 0.90 KDM2B (0.39) 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 PARP1 255/4885MAPT 4595/4885NPSR1 2486/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PARP1 630/4885MAPT 4854/4885NPSR1 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.