SCHEMBL9896501

SCHEMBL9896501

Cc1cc(-c2ncnc3c(C(=O)N[C@H]4CC[C@@H](NC(=O)[C@H](C)O)CC4)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
RIPK2 O43353 2/20 0.33
CRHR1 P34998 1/20 0.33
CNR2 P34972 4/20 0.32
POLB P06746 1/20 0.32
AR P10275 2/20 0.31
SCN9A Q15858 7/20 0.31
PAK1 Q13153 1/20 0.31
SCN5A Q14524 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL9897697 1.00 ACACB (0.34) ACACBRIPK2CRHR1CNR2POLB
SCHEMBL9896502 1.00 ACACB (0.34) ACACBRIPK2CRHR1CNR2POLB
SCHEMBL9900142 0.93 AKT1 (0.33) ACACBRIPK2CNR2SCN9A
SCHEMBL9897808 0.93 AKT1 (0.33) ACACBRIPK2CNR2SCN9A
SCHEMBL9897809 0.93 AKT1 (0.33) ACACBRIPK2CNR2SCN9A
SCHEMBL9896430 0.91 RIPK2 (0.35) RIPK2CRHR1POLBARSCN9A
SCHEMBL9896953 0.91 RIPK2 (0.35) RIPK2CRHR1POLBARSCN9A
SCHEMBL9896432 0.91 RIPK2 (0.35) RIPK2CRHR1POLBARSCN9A
SCHEMBL9895373 0.91 ACACB (0.32) ACACBRIPK2CNR2
SCHEMBL9896915 0.91 ACACB (0.32) ACACBRIPK2CNR2

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 3595/4885RIPK2 3633/4885CRHR1 3405/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A ACACB 3558/4885RIPK2 2831/4885CRHR1 3977/4885

“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.