SCHEMBL9895997

SCHEMBL9895997

CCC(=O)NC1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C(F)(F)F)ccc4OCC4CC4)ncnc23)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 4/20 0.38
PTGER1 P34995 1/20 0.37
CRHR1 P34998 11/20 0.35
CRHR2 Q13324 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
FASN P49327 1/20 0.34

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
SCHEMBL9897060 1.00 CCRL2 (0.38) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9895999 1.00 CCRL2 (0.38) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9897578 0.97 CCRL2 (0.38) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9897580 0.97 CCRL2 (0.38) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9897944 0.97 CCRL2 (0.38) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9895383 0.95 PTGER1 (0.37) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9896787 0.95 PTGER1 (0.37) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9895382 0.95 PTGER1 (0.37) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9898495 0.94 CRHR1 (0.37) CCRL2PTGER1CRHR1CRHR2SCN8A
SCHEMBL9898270 0.94 CRHR1 (0.37) CCRL2PTGER1CRHR1CRHR2SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3936/4885PTGER1 280/4885CRHR1 3405/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCRL2 2713/4885PTGER1 145/4885CRHR1 3977/4885

“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.