SCHEMBL9897339

SCHEMBL9897339

Cc1[nH]c2c(-c3cc(C(F)(F)F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CC[C@@H](NC(=O)CO)C[C@H]1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
CCRL2 O00421 6/20 0.34
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
PTGER1 P34995 1/20 0.33
CRHR1 P34998 6/20 0.32
CRHR2 Q13324 1/20 0.31
PDE4B Q07343 1/20 0.31
BRD4 O60885 1/20 0.31
MDM2 Q00987 1/20 0.30

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
SCHEMBL9895958 1.00 CNR1 (0.35) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9898076 1.00 CNR1 (0.35) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9898375 1.00 CNR1 (0.35) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9895957 1.00 CNR1 (0.35) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9897967 0.97 CNR1 (0.34) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9897883 0.97 CNR1 (0.34) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9895875 0.97 CNR1 (0.34) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9895876 0.97 CNR1 (0.34) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9897211 0.97 CNR1 (0.34) CNR1CNR2CCRL2SCN8ASCN10A
SCHEMBL9895817 0.95 CCRL2 (0.35) CNR1CNR2CCRL2SCN8ASCN10A

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

“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.