SCHEMBL9897140

SCHEMBL9897140

COc1ccc(-c2ncnc3c(C(=O)NC4CCN(C(C)=O)CC4)c(C)[nH]c23)c(OCC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.44
PAK1 Q13153 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
USP2 O75604 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDK1 Q15118 1/20 0.37
TBK1 Q9UHD2 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK2 O96017 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NOS3 P29474 1/20 0.35

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
SCHEMBL9895692 0.96 HPGDS (0.39) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL9898370 0.94 HPGDS (0.44) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL16224202 0.94 PAK1 (0.37) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL9895357 0.93 EPHX2 (0.42) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL9897342 0.93 TBK1 (0.43) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL9896174 0.92 TBK1 (0.39) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL9896566 0.91 PAK1 (0.37) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL16223930 0.91 KDM5A (0.36) HPGDSPAK1MAPTLMNAKDM4E
SCHEMBL9898029 0.91 OPRL1 (0.41) MAPTLMNAKDM4EHSD17B10MAPK1
SCHEMBL9898024 0.91 CYP4F2 (0.39) HPGDSPAK1KDM4EGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP 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 HPGDS 1143/4885PAK1 1904/4885MAPT 4595/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HPGDS 982/4885PAK1 1610/4885MAPT 4854/4885

“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.