SCHEMBL9896746

SCHEMBL9896746

CCc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)COC)CC4)c(C)[nH]c23)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BTK Q06187 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
EPHX2 P34913 1/20 0.33
TBK1 Q9UHD2 4/20 0.33
KIT P10721 1/20 0.33
PAK1 Q13153 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
BRD4 O60885 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 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
SCHEMBL9896507 0.94 LMNA (0.38) LMNAPOLBMAPK1L3MBTL1EPHX2
SCHEMBL9898121 0.93 KDM2B (0.36) LMNAPOLBMAPK1L3MBTL1BTK
SCHEMBL9896573 0.93 EPHX2 (0.40) LMNAPOLBMAPK1L3MBTL1BTK
SCHEMBL9895486 0.92 TBK1 (0.39) LMNAPOLBMAPK1L3MBTL1BTK
SCHEMBL9899102 0.91 L3MBTL1 (0.34) LMNAPOLBMAPK1L3MBTL1BTK
SCHEMBL16224048 0.91 POLB (0.39) LMNAPOLBMAPK1L3MBTL1KIT
SCHEMBL9898574 0.91 POLB (0.39) LMNAPOLBMAPK1L3MBTL1TBK1
SCHEMBL9897593 0.91 BCHE (0.35) LMNAPOLBMAPK1L3MBTL1BTK
SCHEMBL9898126 0.90 PKM (0.40) POLBEPHX2PAK1RBP4TTR
SCHEMBL9897768 0.90 TBK1 (0.34) LMNAPOLBMAPK1L3MBTL1BTK

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 LMNA 3627/4885POLB 594/4885MAPK1 2358/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A LMNA 3477/4885POLB 1780/4885MAPK1 2415/4885

“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.