SCHEMBL9897992

SCHEMBL9897992

Cc1[nH]c2c(-c3cc(C(F)F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CC[C@H](NC(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
ACACB O00763 6/20 0.35
RIPK2 O43353 2/20 0.34
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
MAPK14 Q16539 2/20 0.32
CYP2C9 P11712 1/20 0.32
KMO O15229 1/20 0.32
CNR2 P34972 1/20 0.32
BRD4 O60885 1/20 0.32
CHRM4 P08173 1/20 0.32
ITK Q08881 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
SCHEMBL9897996 1.00 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9896672 0.97 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9896740 0.95 ACACB (0.36) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9897063 0.95 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9895481 0.95 ACACB (0.36) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9897065 0.95 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9895483 0.95 ACACB (0.36) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9898061 0.95 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9898659 0.94 BCHE (0.36) PDE4BPDE4APDE4CPDE4DACACB
SCHEMBL9897465 0.94 BCHE (0.36) PDE4BPDE4APDE4CPDE4DACACB

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