SCHEMBL985168

SCHEMBL985168

COc1cc(-c2ncnc3c(C(=O)N[C@@H]4CCCN(C(=O)CO)C4)c[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MDM4 O15151 1/20 0.35
SCN9A Q15858 1/20 0.35
GAA P10253 1/20 0.33
BTK Q06187 1/20 0.33
JAK3 P52333 7/20 0.33
JAK2 O60674 5/20 0.33
JAK1 P23458 5/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
AXL P30530 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
SCHEMBL982325 0.96 MDM4 (0.38) MDM4BTKPIK3CA
SCHEMBL985478 0.95 POLB (0.39) POLBMDM4SCN9AGAABTK
SCHEMBL985371 0.94 PIK3CD (0.37) POLBMDM4SCN9ABTKJAK3
SCHEMBL982924 0.93 MDM4 (0.36) POLBMDM4SCN9ABTKJAK3
SCHEMBL984720 0.93 MDM4 (0.38) MDM4BTKPIK3CA
SCHEMBL984462 0.93 POLB (0.39) POLBMDM4SCN9AGAABTK
SCHEMBL981629 0.93 POLB (0.39) POLBMDM4SCN9AGAABTK
SCHEMBL983553 0.92 PIK3CD (0.37) POLBMDM4SCN9ABTKJAK3
SCHEMBL984636 0.92 PIK3CD (0.37) POLBMDM4SCN9ABTKJAK3
SCHEMBL982066 0.91 MDM4 (0.37) POLBMDM4BTKPIK3CA

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 POLB 242/4885MDM4 2898/4885SCN9A 893/4885

“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.