SCHEMBL984336

SCHEMBL984336

CC(=O)c1cc(-c2ncnc3c(C(=O)NC4CCN(C(C)=O)CC4)c[nH]c23)c(OCC2CC2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K6 O95382 3/20 0.36
MAP3K5 Q99683 3/20 0.36
BTK Q06187 1/20 0.36
RIPK2 O43353 3/20 0.35
MDM4 O15151 1/20 0.34
PAK1 Q13153 2/20 0.34
CD38 P28907 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
JAK3 P52333 3/20 0.33
HPGDS O60760 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL984680 0.92 MAP3K6 (0.34) MAP3K6MAP3K5BTKRIPK2MDM4
SCHEMBL981754 0.89 MCHR1 (0.37) BTKRIPK2PAK1CD38IRAK4
SCHEMBL981807 0.88 MDM4 (0.38) MAP3K6MAP3K5BTKMDM4PAK1
SCHEMBL985732 0.87 KDR (0.37) MAP3K6MAP3K5BTKCD38IRAK4
SCHEMBL986300 0.87 CDK9 (0.39) MAP3K6MAP3K5MDM4CD38IRAK4
SCHEMBL984278 0.86 MAP3K5 (0.37) MAP3K6MAP3K5BTKMDM4HPGDS
SCHEMBL982064 0.86 MAP3K5 (0.37) MAP3K6MAP3K5BTKMDM4HPGDS
SCHEMBL982969 0.86 BRD4 (0.39) CD38IRAK4
SCHEMBL984600 0.86 BTK (0.40) BTKMDM4PAK1CD38IRAK4
SCHEMBL984887 0.85 HPGDS (0.44) MDM4PAK1CD38IRAK4HPGDS

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 MAP3K6 2724/4885MAP3K5 1564/4885BTK 1977/4885

“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.