SCHEMBL9897049

SCHEMBL9897049

CC(=O)c1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.35
EPHX2 P34913 6/20 0.34
RIPK2 O43353 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PAK1 Q13153 3/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
SLC6A9 P48067 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 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
SCHEMBL9896962 0.92 TBK1 (0.36) TBK1EPHX2LMNAPOLBMAPK1
SCHEMBL9896943 0.92 RIPK2 (0.36) RIPK2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896309 0.91 POLB (0.37) TBK1EPHX2LMNAPOLBMAPK1
SCHEMBL9898294 0.91 EPHX2 (0.36) TBK1EPHX2RIPK2LMNAPOLB
SCHEMBL9896996 0.91 EPHX2 (0.37) TBK1EPHX2RIPK2LMNAPOLB
SCHEMBL9896619 0.90 TBK1 (0.37) TBK1EPHX2LMNAPOLBMAPK1
SCHEMBL9897904 0.90 KMT2A (0.38) TBK1LMNAPOLBMAPK1L3MBTL1
SCHEMBL1439120 0.90 TBK1 (0.39) TBK1RIPK2LMNAPOLBMAPK1
SCHEMBL1440531 0.90 RIPK2 (0.36) RIPK2PDE4APDE4BPDE4CPDE4D
SCHEMBL1440533 0.90 RIPK2 (0.36) RIPK2PDE4APDE4BPDE4CPDE4D

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 TBK1 3747/4885EPHX2 1093/4885RIPK2 3633/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A TBK1 3270/4885EPHX2 1013/4885RIPK2 2831/4885

“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.