SCHEMBL9895512

SCHEMBL9895512

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.39
PDE4B Q07343 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITK Q08881 1/20 0.32
CNR2 P34972 1/20 0.31
CCNT1 O60563 2/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CDK9 P50750 2/20 0.31
RIPK2 O43353 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
SMO Q99835 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL9895664 1.00 ACACB (0.39) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9895511 1.00 ACACB (0.39) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897070 0.97 ACACB (0.38) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897614 0.97 ACACB (0.38) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897068 0.97 ACACB (0.38) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9896870 0.94 PDE4A (0.34) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9896542 0.94 PDE4A (0.34) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9896797 0.94 PDE4A (0.34) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9895148 0.93 ACACB (0.36) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9898766 0.93 ACACB (0.37) ACACBPDE4BPDE4APDE4CPDE4D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US claimed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US claimed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
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 ACACB 3595/4885PDE4B 7/4885PDE4A 3/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A ACACB 3558/4885PDE4B 5/4885PDE4A 3/4885

“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.