SCHEMBL2213575

SCHEMBL2213575

COc1ccc(-c2cccc(-c3cc4ccnn4c(Nc4ccc(NC(=O)c5ccc(CNC(=O)OC(C)(C)C)cc5)cc4)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
NAMPT P43490 3/20 0.45
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PLAU P00749 4/20 0.41
PLG P00747 3/20 0.41
PLAT P00750 3/20 0.41
SNCA P37840 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2214428 0.95 NAMPT (0.46) HDAC1NAMPTHDAC6ALDH1A1MAPT
SCHEMBL2212049 0.95 NAMPT (0.46) HDAC1NAMPTHDAC6NPC1RAB9A
SCHEMBL2214567 0.91 HDAC1 (0.53) HDAC1NAMPTHDAC6MAPTKDM4E
SCHEMBL2211305 0.90 NAMPT (0.47) HDAC1NAMPTHDAC6MAPTCYP1A2
SCHEMBL2215354 0.88 PLAU (0.43) HDAC1NAMPTALDH1A1MAPTKDM4E
SCHEMBL2214607 0.88 PLAU (0.46) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL2212020 0.87 NAMPT (0.46) HDAC1NAMPTHDAC6MAPTKDM4E
SCHEMBL2212158 0.87 NAMPT (0.43) HDAC1NAMPTHDAC6MAPTKDM4E
SCHEMBL2213295 0.86 NAMPT (0.49) HDAC1NAMPTHDAC6MAPTKDM4E
SCHEMBL2214847 0.86 NAMPT (0.45) HDAC1NAMPTHDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 US disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 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-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 HDAC1 1147/4885NAMPT 2045/4885HDAC6 2811/4885

“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.