SCHEMBL9898294

SCHEMBL9898294

Cc1[nH]c2c(-c3cc(C(C)C)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCN(C(=O)[C@H](C)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.36
TBK1 Q9UHD2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ACACB O00763 3/20 0.33
PAK1 Q13153 1/20 0.32
KDM5A P29375 2/20 0.32
RIPK2 O43353 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9896619 0.95 TBK1 (0.37) EPHX2TBK1L3MBTL1LMNAPOLB
SCHEMBL1439333 0.93 L3MBTL1 (0.35) EPHX2L3MBTL1LMNAPOLBMAPK1
SCHEMBL9897936 0.93 L3MBTL1 (0.35) EPHX2L3MBTL1LMNAPOLBMAPK1
SCHEMBL9896962 0.93 TBK1 (0.36) EPHX2TBK1L3MBTL1LMNAPOLB
SCHEMBL9896309 0.92 POLB (0.37) EPHX2TBK1L3MBTL1LMNAPOLB
SCHEMBL9897904 0.91 KMT2A (0.38) TBK1L3MBTL1LMNAPOLBMAPK1
SCHEMBL9897049 0.91 TBK1 (0.35) EPHX2TBK1L3MBTL1LMNAPOLB
SCHEMBL9897593 0.90 BCHE (0.35) EPHX2TBK1L3MBTL1LMNAPOLB
SCHEMBL9897075 0.90 EPHX2 (0.39) EPHX2PAK1
SCHEMBL9896881 0.90 ACACB (0.36) L3MBTL1BCHEACHEACACBRIPK2

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 7 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
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 EPHX2 1093/4885TBK1 3747/4885L3MBTL1 2948/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885TBK1 3270/4885L3MBTL1 2097/4885

“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.