SCHEMBL9897578

SCHEMBL9897578

CCC(=O)N[C@H]1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C(F)(F)F)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 4/20 0.38
CRHR1 P34998 13/20 0.38
CRHR2 Q13324 1/20 0.38
PTGER1 P34995 1/20 0.36
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL9897580 1.00 CCRL2 (0.38) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9897944 1.00 CCRL2 (0.38) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9895999 0.97 CCRL2 (0.38) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9895997 0.97 CCRL2 (0.38) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9897060 0.97 CCRL2 (0.38) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9896601 0.95 CRHR1 (0.37) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9897089 0.95 CRHR1 (0.37) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9896602 0.95 CRHR1 (0.37) CCRL2CRHR1CRHR2PTGER1RBP4
SCHEMBL9895900 0.94 PTGER1 (0.39) CRHR1CRHR2PTGER1RBP4TTR
SCHEMBL9897365 0.94 PTGER1 (0.39) CRHR1CRHR2PTGER1RBP4TTR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US claimed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US claimed
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 CCRL2 3936/4885CRHR1 3405/4885CRHR2 2734/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCRL2 2713/4885CRHR1 3977/4885CRHR2 3461/4885

“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.