SCHEMBL984517

SCHEMBL984517

COc1ccc(-c2ncnc3c(C(=O)N[C@H]4CC[C@@H](NC(=O)[C@H](C)O)CC4)c[nH]c23)c(OCC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.39
HTR4 Q13639 2/20 0.38
ACACB O00763 1/20 0.36
AURKA O14965 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHR1 P34998 2/20 0.34
CRHR2 Q13324 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
HPGDS O60760 1/20 0.34
CD38 P28907 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RAB9A P51151 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
SCHEMBL985750 1.00 BTK (0.39) BTKHTR4ACACBAURKAMET
SCHEMBL983039 0.92 BTK (0.40) BTKHTR4CD38
SCHEMBL984183 0.91 BTK (0.37) BTKACACBCRHR1GRIN1GRIN2B
SCHEMBL982180 0.91 BTK (0.37) BTKACACBCRHR1GRIN1GRIN2B
SCHEMBL982867 0.91 HTR4 (0.40) BTKHTR4AURKAMETKDR
SCHEMBL984107 0.91 HTR4 (0.40) BTKHTR4AURKAMETKDR
SCHEMBL984589 0.90 BTK (0.43) BTKHTR4AURKAMETKDR
SCHEMBL981973 0.90 BTK (0.43) BTKHTR4AURKAMETKDR
SCHEMBL985429 0.90 PAK1 (0.38) HTR4HPGDS
SCHEMBL983647 0.89 HTR4 (0.39) BTKHTR4AURKAMETKDR

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 BTK 1977/4885HTR4 1818/4885ACACB 3241/4885

“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.