SCHEMBL9895817

SCHEMBL9895817

CCC(=O)N[C@@H]1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C(F)(F)F)ccc4OCC4CC4)ncnc23)[C@H](F)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 5/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 1/20 0.34
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
PTGER1 P34995 1/20 0.33
BRD4 O60885 1/20 0.33
CRHR1 P34998 4/20 0.32
FASN P49327 2/20 0.32
CRHR2 Q13324 1/20 0.32
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL9896067 1.00 CCRL2 (0.35) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9895661 1.00 CCRL2 (0.35) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9895660 1.00 CCRL2 (0.35) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9898237 1.00 CCRL2 (0.35) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9896669 0.97 CCRL2 (0.34) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9896831 0.97 CCRL2 (0.34) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9896671 0.97 CCRL2 (0.34) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9898114 0.97 CCRL2 (0.34) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9898101 0.97 CCRL2 (0.34) CCRL2CNR1CNR2SCN8ASCN10A
SCHEMBL9895957 0.95 CNR1 (0.35) CCRL2CNR1CNR2SCN8ASCN10A

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 5 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
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 3936/4885CNR1 3069/4885CNR2 2377/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCRL2 2713/4885CNR1 3001/4885CNR2 2118/4885

“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.