SCHEMBL9897075

SCHEMBL9897075

Cc1[nH]c2c(-c3cc(C(F)(F)F)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCN(C(=O)[C@H](C)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.39
PAK1 Q13153 2/20 0.36
PTGER1 P34995 1/20 0.35
SLC6A9 P48067 1/20 0.35
CRHR1 P34998 1/20 0.35
CRHR2 Q13324 1/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
SSTR5 P35346 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
SCHEMBL1440605 0.94 EPHX2 (0.40) EPHX2SSTR5
SCHEMBL1439468 0.94 EPHX2 (0.40) EPHX2SSTR5
SCHEMBL9896554 0.92 EPHX2 (0.39) EPHX2PAK1PTGER1SLC6A9CRHR1
SCHEMBL9898427 0.92 PTGER1 (0.38) EPHX2PAK1PTGER1SLC6A9CRHR1
SCHEMBL9897284 0.92 EPHX2 (0.42) EPHX2PAK1PTGER1SLC6A9CRHR1
SCHEMBL9896962 0.92 TBK1 (0.36) EPHX2PAK1
SCHEMBL9896994 0.91 TBK1 (0.37) EPHX2PAK1PTGER1SLC6A9CRHR1
SCHEMBL9896619 0.91 TBK1 (0.37) EPHX2PAK1
SCHEMBL9897777 0.91 CRHR1 (0.36) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL9897775 0.91 CRHR1 (0.36) PTGER1CRHR1CRHR2RBP4TTR

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 1093/4885PAK1 1904/4885PTGER1 280/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EPHX2 1013/4885PAK1 1610/4885PTGER1 145/4885

“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.