SCHEMBL2211981

SCHEMBL2211981

NCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cc4ccnn34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
NR1H4 Q96RI1 2/20 0.45
POLB P06746 2/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LOXL2 Q9Y4K0 3/20 0.41
KLKB1 P03952 2/20 0.41
PLAU P00749 2/20 0.41
P2RX3 P56373 1/20 0.41
DEGS1 O15121 1/20 0.41
PTPN1 P18031 1/20 0.40
LOX P28300 2/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL2214589 0.95 HDAC1 (0.45) HDAC1NR1H4POLBSTAT3SMN1; SMN2
SCHEMBL2214950 0.94 PTPN1 (0.46) HDAC1NR1H4KITPDGFRAMEN1
SCHEMBL2214363 0.92 HDAC1 (0.42) HDAC1NR1H4SMN1; SMN2KITPDGFRA
SCHEMBL2215297 0.92 PTPN1 (0.45) POLBSMN1; SMN2MEN1KMT2ALOXL2
SCHEMBL2215216 0.91 PLAU (0.41) HDAC1POLBKITPDGFRAMEN1
SCHEMBL2215002 0.91 JAK2 (0.45) HDAC1POLBKITPDGFRAMEN1
SCHEMBL2215189 0.90 PLAU (0.50) POLBSMN1; SMN2MEN1KMT2ALOXL2
SCHEMBL2215236 0.90 HDAC1 (0.41) HDAC1SMN1; SMN2KITPDGFRAMEN1
SCHEMBL2212378 0.90 SNCA (0.49) SMN1; SMN2MEN1KMT2ALOXL2KLKB1
SCHEMBL2214607 0.88 PLAU (0.46) POLBSMN1; SMN2MEN1KMT2ALOXL2

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 HDAC1 1147/4885NR1H4 1641/4885POLB 828/4885

“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.