SCHEMBL2213749

SCHEMBL2213749

NCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc5cc(OCc6ccccc6)ccc5c4)cc4ccnn34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SIRT2 Q8IXJ6 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
LOX P28300 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
SIRT1 Q96EB6 2/20 0.41
THRB P10828 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL2216428 0.91 ALDH1A1 (0.41) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL2213434 0.90 KLKB1 (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2216054 0.89 PLAU (0.39) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL2213866 0.88 PLG (0.47) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL2216207 0.87 PLAU (0.44) SIRT2LOXLOXL2HDAC1
SCHEMBL2213915 0.87 HDAC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2211981 0.86 HDAC1 (0.45) SMN1; SMN2MAPTMEN1KMT2ANR1H4
SCHEMBL2214589 0.85 HDAC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL2214950 0.84 PTPN1 (0.46) MEN1KMT2ASIRT2NR1H4LOX
SCHEMBL2214607 0.84 PLAU (0.46) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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 NPC1 3449/4885RAB9A 3213/4885SMN1; SMN2 1421/4885

“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.