SCHEMBL9897666

SCHEMBL9897666

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
CRHR1 P34998 11/20 0.34
CCRL2 O00421 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
CRHR2 Q13324 1/20 0.33
ACACB O00763 1/20 0.33
PTGER1 P34995 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL9897006 1.00 PDE2A (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9897700 1.00 PDE2A (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9897004 1.00 PDE2A (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9899178 1.00 PDE2A (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9897275 0.97 CRHR1 (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9897337 0.97 CRHR1 (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9896042 0.97 CRHR1 (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9896064 0.97 CRHR1 (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9896041 0.97 CRHR1 (0.34) PDE2ACRHR1CCRL2CNR1CNR2
SCHEMBL9895533 0.94 CCRL2 (0.35) CRHR1CCRL2CNR1CNR2CRHR2

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 5/4885CRHR1 3405/4885CCRL2 3936/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PDE2A 7/4885CRHR1 3977/4885CCRL2 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.