SCHEMBL9896803

SCHEMBL9896803

COCC(=O)NC1CC(F)C(NC(=O)c2c(C)[nH]c3c(-c4cc(C(F)(F)F)ccc4OCC4CC4)ncnc23)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
CCRL2 O00421 4/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
CRHR1 P34998 6/20 0.33
PTGER1 P34995 1/20 0.33
CRHR2 Q13324 1/20 0.32
SCN8A Q9UQD0 2/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 1/20 0.32
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
SCHEMBL9896805 1.00 PDE2A (0.34) PDE2ACCRL2CNR1CNR2CRHR1
SCHEMBL9897416 1.00 PDE2A (0.34) PDE2ACCRL2CNR1CNR2CRHR1
SCHEMBL9897330 0.95 PDE2A (0.34) PDE2ACCRL2CNR1CNR2CRHR1
SCHEMBL9897991 0.95 PDE2A (0.34) PDE2ACCRL2CNR1CNR2CRHR1
SCHEMBL9897331 0.95 PDE2A (0.34) PDE2ACCRL2CNR1CNR2CRHR1
SCHEMBL9898462 0.95 PDE2A (0.34) PDE2ACCRL2CNR1CNR2CRHR1
SCHEMBL9897725 0.95 PDE2A (0.34) PDE2ACCRL2CNR1CNR2CRHR1
SCHEMBL9897632 0.94 CCRL2 (0.36) CCRL2CNR1CNR2CRHR1PTGER1
SCHEMBL9897903 0.94 CCRL2 (0.36) CCRL2CNR1CNR2CRHR1PTGER1
SCHEMBL9897631 0.94 CCRL2 (0.36) CCRL2CNR1CNR2CRHR1PTGER1

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 PDE2A 5/4885CCRL2 3936/4885CNR1 3069/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PDE2A 7/4885CCRL2 2713/4885CNR1 3001/4885

“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.