SCHEMBL9896881

SCHEMBL9896881

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK2 O43353 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPK14 Q16539 2/20 0.31
CYP2C9 P11712 1/20 0.31
BTK Q06187 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 3/20 0.31
BRD4 O60885 1/20 0.31
CHRM4 P08173 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
SCHEMBL9896882 1.00 ACACB (0.36) ACACBBCHEACHEL3MBTL1RIPK2
SCHEMBL9900231 1.00 ACACB (0.36) ACACBBCHEACHEL3MBTL1RIPK2
SCHEMBL9897481 0.95 ACACB (0.37) ACACBRIPK2PDE4APDE4BPDE4C
SCHEMBL9897969 0.95 ACACB (0.37) ACACBRIPK2PDE4APDE4BPDE4C
SCHEMBL9897479 0.95 ACACB (0.37) ACACBRIPK2PDE4APDE4BPDE4C
SCHEMBL9897460 0.93 BCHE (0.36) ACACBBCHEACHEL3MBTL1RIPK2
SCHEMBL9898659 0.93 BCHE (0.36) ACACBBCHEACHEL3MBTL1RIPK2
SCHEMBL9897465 0.93 BCHE (0.36) ACACBBCHEACHEL3MBTL1RIPK2
SCHEMBL9896886 0.92 BCHE (0.36) ACACBBCHEACHEL3MBTL1RIPK2
SCHEMBL9897800 0.92 BCHE (0.36) ACACBBCHEACHEL3MBTL1RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3595/4885BCHE 673/4885ACHE 107/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A ACACB 3558/4885BCHE 1264/4885ACHE 975/4885

“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.