SCHEMBL1440192

SCHEMBL1440192

COc1cc(OCC2CC2)c(-c2nc(C)nc3c(C(=O)NC4CCN(C(=O)O)CC4)c(C)[nH]c23)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
KDM5A P29375 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE4B Q07343 2/20 0.33
PDE4D Q08499 1/20 0.33
MCHR1 Q99705 1/20 0.33
RIPK2 O43353 2/20 0.32
TRPC6 Q9Y210 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL9896392 0.97 FFAR4 (0.36) FFAR4LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896778 0.94 HPGDS (0.36) FFAR4LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896764 0.92 EPHX2 (0.35) FFAR4LMNAPOLBMAPK1L3MBTL1
SCHEMBL9897924 0.91 HPGDS (0.36) FFAR4LMNAPOLBMAPK1L3MBTL1
SCHEMBL9899877 0.91 SCN9A (0.39) LMNAPOLBMAPK1L3MBTL1MAPT
SCHEMBL9898251 0.91 EPHX2 (0.38) FFAR4LMNAPOLBMAPK1L3MBTL1
SCHEMBL9896414 0.91 MAPK1 (0.35) FFAR4LMNAPOLBMAPK1L3MBTL1
SCHEMBL9897842 0.90 CCNT1 (0.37) FFAR4LMNAPOLBMAPK1L3MBTL1
SCHEMBL1441956 0.89 MAPK1 (0.34) FFAR4LMNAPOLBMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1438831 0.89 KDM1A (0.38) FFAR4PTK2

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 FFAR4 2796/4885LMNA 3627/4885POLB 594/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A FFAR4 2235/4885LMNA 3477/4885POLB 1780/4885

“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.