SCHEMBL2214847

SCHEMBL2214847

COc1ccccc1-c1ccc(-c2cc3ccnn3c(Nc3ccc(NC(=O)c4ccc(CNC(=O)OC(C)(C)C)cc4)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.45
HDAC1 Q13547 6/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CFTR P13569 1/20 0.41
KDM1A O60341 2/20 0.40
CCKBR P32239 1/20 0.37
BRD4 O60885 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL2214567 0.91 HDAC1 (0.53) NAMPTHDAC1HDAC6BRD4CTNNB1
SCHEMBL2212049 0.89 NAMPT (0.46) NAMPTHDAC1HDAC6CFTRKDM1A
SCHEMBL2213295 0.88 NAMPT (0.49) NAMPTHDAC1HDAC6BRD4
SCHEMBL2216236 0.87 KLKB1 (0.41) HDAC1KDM1A
SCHEMBL2213575 0.86 HDAC1 (0.46) NAMPTHDAC1HDAC6
SCHEMBL2214428 0.85 NAMPT (0.46) NAMPTHDAC1HDAC6
SCHEMBL2212020 0.84 NAMPT (0.46) NAMPTHDAC1HDAC6CFTRBRD4
SCHEMBL2213915 0.83 HDAC1 (0.47) NAMPTHDAC1HDAC6
SCHEMBL2212158 0.83 NAMPT (0.43) NAMPTHDAC1HDAC6CFTR
SCHEMBL2211305 0.82 NAMPT (0.47) NAMPTHDAC1HDAC6CCKBRBRD4

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 NAMPT 2045/4885HDAC1 1147/4885HDAC6 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.