SCHEMBL2214698

SCHEMBL2214698

CC(C)(C)OC(=O)NCc1ccnc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.38
CCKBR P32239 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
NAMPT P43490 3/20 0.34
GRM4 Q14833 1/20 0.34
SCD O00767 1/20 0.34
MAP3K5 Q99683 1/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
STING1 Q86WV6 1/20 0.33
CFTR P13569 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL2213364 0.89 NAMPT (0.36) BRD4CCKBRCYP1A2CYP2D6NAMPT
SCHEMBL2211370 0.88 LOXL2 (0.34) NAMPTMAPTKDM4E
SCHEMBL2215145 0.87 BRD4 (0.36) BRD4CCKBRNAMPTMAPT
SCHEMBL4376898 0.85 PIP4K2C (0.37) BRD4NAMPTGRM4MAPTTDP1
SCHEMBL2212145 0.82 BRD4 (0.39) BRD4CCKBRMAPT
SCHEMBL2214689 0.80 NAMPT (0.34) NAMPTMAPTKDM4EMAPK1
SCHEMBL2215529 0.80 ALDH1A1 (0.38) MAPTKDM4E
SCHEMBL2213218 0.80 TRPV1 (0.42) NAMPTMAPTKDM4E
SCHEMBL2215195 0.80 MEN1 (0.45) MAPTKDM4E
SCHEMBL2213958 0.80 KDM4E (0.37) NAMPTMAPTKDM4E

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 BRD4 708/4885CCKBR 2961/4885CYP1A2 1752/4885

“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.