SCHEMBL983742

SCHEMBL983742

CC(=O)c1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c[nH]c23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SLC6A9 P48067 1/20 0.33
RIPK2 O43353 1/20 0.33
PAK1 Q13153 2/20 0.33
TBK1 Q9UHD2 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM5A P29375 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 3/20 0.32
SRC P12931 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
SCHEMBL981754 0.92 MCHR1 (0.37) MCHR1SLC6A9RIPK2PAK1ALDH1A1
SCHEMBL983643 0.91 MDM4 (0.36) PAK1TBK1ALDH1A1KDM5AL3MBTL1
SCHEMBL982027 0.91 BRD4 (0.37) PAK1KDM5AEPHX2
SCHEMBL984680 0.90 MAP3K6 (0.34) RIPK2PAK1TBK1
SCHEMBL982592 0.90 PAK1 (0.38) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL985290 0.89 KDM5A (0.37) PAK1KDM5A
SCHEMBL982941 0.89 BTK (0.39) MCHR1SLC6A9RIPK2PAK1TBK1
SCHEMBL9897049 0.86 TBK1 (0.35) PDE4APDE4BPDE4CPDE4DSLC6A9
SCHEMBL985429 0.86 PAK1 (0.38) MCHR1PAK1TSHRKDM5A
SCHEMBL985153 0.86 MAP3K5 (0.34) MCHR1TBK1KDM5AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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 (1 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MCHR1 4625/4885PDE4A 6/4885PDE4B 7/4885

“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.