SCHEMBL9897392

SCHEMBL9897392

COc1cc(-c2ncnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.35
KDM5A P29375 2/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCHR1 Q99705 1/20 0.33
TBK1 Q9UHD2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LRRK2 Q5S007 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
IGF1R P08069 1/20 0.32
PAK1 Q13153 1/20 0.32
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL9897870 0.97 EPHX2 (0.35) EPHX2KDM5ALMNAPOLBMAPK1
SCHEMBL1438909 0.96 KDM5A (0.39) EPHX2KDM5ALMNAPOLBMAPK1
SCHEMBL9897773 0.93 CCNT1 (0.34) EPHX2KDM5ALMNAPOLBMAPK1
SCHEMBL1439190 0.93 KDM5A (0.39) EPHX2KDM5ALMNAPOLBMAPK1
SCHEMBL9896788 0.93 EPHX2 (0.35) EPHX2KDM5ALMNAPOLBMAPK1
SCHEMBL16223787 0.92 KDM5A (0.35) KDM5APOLBTBK1FFAR4
SCHEMBL9899081 0.92 CDK9 (0.36) KDM5ALMNAPOLBMAPK1L3MBTL1
SCHEMBL9896452 0.92 MAPK1 (0.35) KDM5ALMNAPOLBMAPK1L3MBTL1
SCHEMBL9898789 0.91 EPHX2 (0.35) EPHX2KDM5ALMNAPOLBMAPK1
SCHEMBL9898068 0.91 L3MBTL1 (0.44) LMNAPOLBMAPK1L3MBTL1HSD17B10

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 1093/4885KDM5A 83/4885LMNA 3627/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885KDM5A 69/4885LMNA 3477/4885

“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.