SCHEMBL9897284

SCHEMBL9897284

CCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C(F)(F)F)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.42
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
CRHR1 P34998 3/20 0.37
PAK1 Q13153 2/20 0.36
PTGER1 P34995 1/20 0.36
SLC6A9 P48067 1/20 0.36
CRHR2 Q13324 1/20 0.36
SSTR5 P35346 1/20 0.35
CCRL2 O00421 1/20 0.35

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
SCHEMBL9896994 0.95 TBK1 (0.37) EPHX2RBP4TTRCRHR1PAK1
SCHEMBL9898126 0.94 PKM (0.40) EPHX2RBP4TTRCRHR1PAK1
SCHEMBL9896554 0.94 EPHX2 (0.39) EPHX2RBP4TTRCRHR1PAK1
SCHEMBL9898427 0.94 PTGER1 (0.38) EPHX2RBP4TTRCRHR1PAK1
SCHEMBL9896493 0.94 EPHX2 (0.43) EPHX2SSTR5
SCHEMBL9897075 0.92 EPHX2 (0.39) EPHX2RBP4TTRCRHR1PAK1
SCHEMBL9899681 0.91 HDAC4 (0.40)
SCHEMBL9897963 0.91 MEN1 (0.40) EPHX2RBP4TTR
SCHEMBL9897192 0.90 EPHX2 (0.39) EPHX2RBP4TTRPAK1
SCHEMBL9897944 0.90 CCRL2 (0.38) RBP4TTRCRHR1PTGER1CRHR2

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 1093/4885RBP4 3017/4885TTR 4233/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885RBP4 2168/4885TTR 4289/4885

“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.