SCHEMBL2214567

SCHEMBL2214567

CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cc4ccnn34)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
NAMPT P43490 4/20 0.49
HDAC6 Q9UBN7 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
BRD4 O60885 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
NR1H2 P55055 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
SCHEMBL2213295 0.96 NAMPT (0.49) HDAC1NAMPTHDAC6KDM4EMAPT
SCHEMBL2212049 0.92 NAMPT (0.46) HDAC1NAMPTHDAC6HDAC2MAPT
SCHEMBL2213575 0.91 HDAC1 (0.46) HDAC1NAMPTHDAC6KDM4EMAPT
SCHEMBL2214847 0.91 NAMPT (0.45) HDAC1NAMPTHDAC6CTNNB1TCF7L2
SCHEMBL2213915 0.89 HDAC1 (0.47) HDAC1NAMPTHDAC6HDAC3HDAC2
SCHEMBL2212020 0.89 NAMPT (0.46) HDAC1NAMPTHDAC6KDM4EMAPT
SCHEMBL2211305 0.88 NAMPT (0.47) HDAC1NAMPTHDAC6MAPTTDP1
SCHEMBL2214428 0.88 NAMPT (0.46) HDAC1NAMPTHDAC6KDM4EMAPT
SCHEMBL2212052 0.86 NAMPT (0.40) HDAC1NAMPTHDAC6CTNNB1TCF7L2
SCHEMBL2215005 0.86 NAMPT (0.43) HDAC1NAMPTHDAC6CTNNB1TCF7L2

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 5 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
EP-1797096-A2 NOVEL PYRAZOLOPYRIMIDINES Altana Pharma AG (DE) 2007-06-20 EP disclosed
WO-2006027346-A2 NOVEL PYRAZOLOPYRIMIDINES ALTANA PHARMA AG (DE) 2006-03-16 WO 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.