SCHEMBL982867

SCHEMBL982867

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
AURKA O14965 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
BTK Q06187 8/20 0.36
KDM4E B2RXH2 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CRHR1 P34998 2/20 0.36
CRHR2 Q13324 2/20 0.36
HPGDS O60760 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
RIPK2 O43353 1/20 0.35
RAB9A P51151 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
SCHEMBL984107 1.00 HTR4 (0.40) HTR4CYP4F2CYP4A11AURKAMET
SCHEMBL986109 0.94 HTR4 (0.40) HTR4CYP4F2CYP4A11AURKAMET
SCHEMBL982719 0.94 HTR4 (0.40) HTR4CYP4F2CYP4A11AURKAMET
SCHEMBL984589 0.93 BTK (0.43) HTR4AURKAMETKDRTEK
SCHEMBL981973 0.93 BTK (0.43) HTR4AURKAMETKDRTEK
SCHEMBL983647 0.92 HTR4 (0.39) HTR4AURKAMETKDRTEK
SCHEMBL984605 0.92 HTR4 (0.39) HTR4AURKAMETKDRTEK
SCHEMBL984925 0.92 HTR4 (0.39) HTR4AURKAMETKDRTEK
SCHEMBL983065 0.92 HTR4 (0.39) HTR4AURKAMETKDRTEK
SCHEMBL984219 0.92 HTR4 (0.39) HTR4AURKAMETKDRTEK

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 HTR4 1818/4885CYP4F2 334/4885CYP4A11 416/4885

“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.