SCHEMBL984587

SCHEMBL984587

COc1ccc(-c2ncnc3c(C(=O)NC4CCN(C(C)=O)CC4)c[nH]c23)c(OCC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
HTR4 Q13639 2/20 0.38
TSHR P16473 2/20 0.38
PAK1 Q13153 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDK1 Q15118 1/20 0.37
MDM4 O15151 1/20 0.37
PRKAB2 O43741 1/20 0.35
CYP3A4 P08684 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CD38 P28907 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 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
SCHEMBL984887 0.94 HPGDS (0.44) HPGDSHTR4TSHRPAK1HSP90AA1
SCHEMBL985879 0.93 MTNR1B (0.40) HPGDSHTR4TSHRPAK1MDM4
SCHEMBL984353 0.93 TBK1 (0.41) HPGDSHTR4TSHRPAK1MDM4
SCHEMBL983426 0.92 ALDH1A1 (0.44) MAPTALDH1A1
SCHEMBL983581 0.92 BTK (0.40) HPGDSHTR4TSHRPAK1MDM4
SCHEMBL984910 0.92 HPGDS (0.45) HPGDSHTR4TSHRHSP90AA1HSP90AB1
SCHEMBL985429 0.91 PAK1 (0.38) HPGDSHTR4TSHRPAK1MDM4
SCHEMBL986300 0.91 CDK9 (0.39) MDM4CD38IRAK4
SCHEMBL984107 0.91 HTR4 (0.40) HPGDSHTR4
SCHEMBL982867 0.91 HTR4 (0.40) HPGDSHTR4

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 HPGDS 651/4885HTR4 1818/4885TSHR 3033/4885

“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.