SCHEMBL2213704

SCHEMBL2213704

CC(C)(C)OC(=O)Nc1ccc(Nc2nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)cc3ccnn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADAMTS4 O75173 1/20 0.41
LTA4H P09960 1/20 0.39
CYP17A1 P05093 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
MAPK14 Q16539 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
P2RX3 P56373 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SREBF2 Q12772 1/20 0.36
MAOA P21397 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
SCHEMBL2213915 0.90 HDAC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2216214 0.83 CYP17A1 (0.41) CYP17A1PKMTOP2ATOP2BACSS2
SCHEMBL2213749 0.83 NPC1 (0.44) SIRT2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2214224 0.80 BCL2 (0.43) CYP17A1SREBF2
SCHEMBL2215005 0.79 NAMPT (0.43) MAPTGPR55P2RX3
SCHEMBL2212158 0.79 NAMPT (0.43) MAPTGPR55
SCHEMBL2213436 0.79 CYP17A1 (0.43) RAB9ACYP17A1SREBF2
SCHEMBL2215485 0.78 PLAU (0.42) NPC1SMN1; SMN2CYP17A1MEN1KMT2A
SCHEMBL2212020 0.77 NAMPT (0.46) MAPTGPR55
SCHEMBL2216413 0.77 CYP17A1 (0.49) CYP17A1MAPTALDH1A1PKMMEN1

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 SIRT2 1890/4885NPC1 3449/4885RAB9A 3213/4885

“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.