SCHEMBL2212052

SCHEMBL2212052

CC(C)(C)OC(=O)NCCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc(-c5ccc(F)cc5)cc4)cc4ccnn34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.40
CFTR P13569 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CD274 Q9NZQ7 1/20 0.38
MCHR1 Q99705 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RY14 Q15391 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCB1 P08183 1/20 0.37
PTPN1 P18031 2/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 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
SCHEMBL2214171 0.92 NAMPT (0.40) NAMPTCFTRCD274HDAC1HDAC6
SCHEMBL2213189 0.89 PTGIR (0.41) NAMPTCFTRCD274HDAC1HDAC6
SCHEMBL2215354 0.89 PLAU (0.43) NAMPTCFTRMEN1KMT2AHDAC1
SCHEMBL2214223 0.87 PLG (0.42) NAMPTCFTRMEN1KMT2AHDAC1
SCHEMBL2214567 0.86 HDAC1 (0.53) NAMPTHDAC1HDAC6TDP1CTNNB1
SCHEMBL2213436 0.85 CYP17A1 (0.43) CD274P2RY14RAB9ACYP17A1
SCHEMBL2212049 0.84 NAMPT (0.46) NAMPTCFTRMEN1KMT2AHDAC1
SCHEMBL2213844 0.84 PTPN1 (0.43) NAMPTMEN1KMT2AMCHR1NPC1
SCHEMBL2215297 0.83 PTPN1 (0.45) MEN1KMT2AMCHR1NPC1MAPK1
SCHEMBL2213295 0.82 NAMPT (0.49) NAMPTHDAC1HDAC6MAPK1TDP1

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 NAMPT 2045/4885CFTR 1177/4885MEN1 3137/4885

“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.