SCHEMBL9897593

SCHEMBL9897593

COCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C(C)C)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
EPHX2 P34913 1/20 0.34
TLR9 Q9NR96 5/20 0.34
TLR8 Q9NR97 5/20 0.34
TLR7 Q9NYK1 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM5A P29375 2/20 0.34
BTK Q06187 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
TBK1 Q9UHD2 3/20 0.33
ACACB O00763 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL9897768 0.95 TBK1 (0.34) TLR9TLR8TLR7L3MBTL1KDM5A
SCHEMBL9898121 0.92 KDM2B (0.36) L3MBTL1BTKLMNAPOLBMAPK1
SCHEMBL1439333 0.92 L3MBTL1 (0.35) BCHEACHEEPHX2L3MBTL1KDM5A
SCHEMBL9897936 0.92 L3MBTL1 (0.35) BCHEACHEEPHX2L3MBTL1KDM5A
SCHEMBL9896746 0.91 LMNA (0.37) EPHX2L3MBTL1BTKLMNAPOLB
SCHEMBL9898294 0.90 EPHX2 (0.36) BCHEACHEEPHX2L3MBTL1KDM5A
SCHEMBL9895486 0.90 TBK1 (0.39) EPHX2L3MBTL1BTKLMNAPOLB
SCHEMBL9897323 0.90 BCHE (0.41) BCHEACHEL3MBTL1KDM5ABTK
SCHEMBL9896387 0.90 BCHE (0.41) BCHEACHEL3MBTL1KDM5ABTK
SCHEMBL9896386 0.90 BCHE (0.41) BCHEACHEL3MBTL1KDM5ABTK

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 BCHE 673/4885ACHE 107/4885EPHX2 1093/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A BCHE 1264/4885ACHE 975/4885EPHX2 1013/4885

“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.