SCHEMBL9900142

SCHEMBL9900142

COc1cc(-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 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.33
RPS6KB1 P23443 1/20 0.33
ACACB O00763 1/20 0.32
CNR2 P34972 2/20 0.32
PDE4B Q07343 3/20 0.32
PDE4D Q08499 1/20 0.32
TTK P33981 2/20 0.31
RIPK2 O43353 1/20 0.31
LRRK2 Q5S007 2/20 0.31
RBP4 P02753 1/20 0.31
TTR P02766 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MCHR1 Q99705 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SCN9A Q15858 1/20 0.30
JAK1 P23458 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
SCHEMBL9897808 1.00 AKT1 (0.33) AKT1RPS6KB1ACACBCNR2PDE4B
SCHEMBL9897809 1.00 AKT1 (0.33) AKT1RPS6KB1ACACBCNR2PDE4B
SCHEMBL9896915 0.97 ACACB (0.32) AKT1RPS6KB1ACACBCNR2PDE4B
SCHEMBL9895377 0.97 ACACB (0.32) AKT1RPS6KB1ACACBCNR2PDE4B
SCHEMBL9895373 0.97 ACACB (0.32) AKT1RPS6KB1ACACBCNR2PDE4B
SCHEMBL9896501 0.93 ACACB (0.34) ACACBCNR2RIPK2SCN9A
SCHEMBL9897697 0.93 ACACB (0.34) ACACBCNR2RIPK2SCN9A
SCHEMBL9896502 0.93 ACACB (0.34) ACACBCNR2RIPK2SCN9A
SCHEMBL9896256 0.92 FFAR4 (0.34) AKT1RPS6KB1PDE4BPDE4DRIPK2
SCHEMBL9896252 0.92 FFAR4 (0.34) AKT1RPS6KB1PDE4BPDE4DRIPK2

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 AKT1 2964/4885RPS6KB1 1846/4885ACACB 3595/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A AKT1 2667/4885RPS6KB1 2001/4885ACACB 3558/4885

“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.