SCHEMBL9897608

SCHEMBL9897608

Cc1[nH]c2c(-c3cc(C(F)F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CC[C@@H](NC(=O)CO)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ACACB O00763 10/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
ITK Q08881 1/20 0.31
RIPK2 O43353 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.30
KMO O15229 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
SCHEMBL9897606 1.00 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9898862 1.00 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9896742 0.97 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9896743 0.97 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9897951 0.97 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9896542 0.95 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9896870 0.95 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9896797 0.95 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9896672 0.93 PDE4B (0.35) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL9897327 0.93 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DACACB

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 PDE4A 3/4885PDE4B 7/4885PDE4C 9/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PDE4A 3/4885PDE4B 5/4885PDE4C 8/4885

“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.