SCHEMBL9896764

SCHEMBL9896764

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.35
KDM5A P29375 2/20 0.35
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCHR1 Q99705 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
LRRK2 Q5S007 1/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
IGF1R P08069 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
SCHEMBL9898789 0.97 EPHX2 (0.35) EPHX2KDM5AFFAR4LMNAPOLB
SCHEMBL9896778 0.92 HPGDS (0.36) KDM5AFFAR4LMNAPOLBMAPK1
SCHEMBL1440192 0.92 FFAR4 (0.36) KDM5AFFAR4LMNAPOLBMAPK1
SCHEMBL9897870 0.91 EPHX2 (0.35) EPHX2KDM5AFFAR4LMNAPOLB
SCHEMBL9896392 0.89 FFAR4 (0.36) KDM5AFFAR4LMNAPOLBMAPK1
SCHEMBL9897924 0.89 HPGDS (0.36) KDM5AFFAR4LMNAPOLBMAPK1
SCHEMBL9899877 0.88 SCN9A (0.39) LMNAPOLBMAPK1L3MBTL1BRD4
SCHEMBL9897392 0.88 EPHX2 (0.35) EPHX2KDM5AFFAR4LMNAPOLB
SCHEMBL9898251 0.88 EPHX2 (0.38) EPHX2KDM5AFFAR4LMNAPOLB
SCHEMBL9897842 0.88 CCNT1 (0.37) EPHX2KDM5AFFAR4LMNAPOLB

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 83/4885FFAR4 2796/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885KDM5A 69/4885FFAR4 2235/4885

“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.