SCHEMBL2214224

SCHEMBL2214224

CC(C)(C)OC(=O)Nc1ccc(Nc2nc(-c3ccc(Br)cc3)cc3ccnn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 12/20 0.43
BECN1 Q14457 8/20 0.43
CHRM1 P11229 1/20 0.43
CYP17A1 P05093 3/20 0.41
SREBF2 Q12772 1/20 0.41
PSMB8 P28062 1/20 0.40
PRKDC P78527 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL2213436 0.90 CYP17A1 (0.43) CHRM1CYP17A1SREBF2PSMB8PRKDC
SCHEMBL2216214 0.85 CYP17A1 (0.41) CHRM1CYP17A1PSMB8HDAC3HDAC1
SCHEMBL2215485 0.85 PLAU (0.42) CHRM1CYP17A1
SCHEMBL2216413 0.85 CYP17A1 (0.49) CYP17A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2214171 0.85 NAMPT (0.40) BCL2BECN1CYP17A1HDAC1
SCHEMBL2213283 0.83 PLG (0.42) BCL2BECN1CHRM1CYP17A1
SCHEMBL2879548 0.80 KDR (0.43)
SCHEMBL2213704 0.80 SIRT2 (0.43) CYP17A1SREBF2
SCHEMBL2214996 0.80 ESR2 (0.41) HDAC8
SCHEMBL2214567 0.77 HDAC1 (0.53) HDAC3HDAC1HDAC2

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 BCL2 45/4885BECN1 2073/4885CHRM1 3388/4885

“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.