SCHEMBL4658303

SCHEMBL4658303

N#CCC(=O)c1ccno1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 4/20 0.36
KCNH2 Q12809 4/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
MCL1 Q07820 1/20 0.35
GFER P55789 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL6490677 0.72 KMT2A (0.42) KEAP1NFE2L2KMT2AMEN1GAA
SCHEMBL112293 0.69
SCHEMBL3618206 0.69
SCHEMBL6443012 0.68 CHRNB2 (0.43) KMT2AMEN1GAAKCNH2CHRNA4
SCHEMBL135923 0.68 ALDH1A1 (0.53) KMT2AMEN1GAAMCL1TDP1
SCHEMBL5187891 0.67
Hydrochloric Acid SCHEMBL6473638 0.67
SCHEMBL159413 0.67
SCHEMBL237747 0.67 ALDH1A1 (0.52) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL1426436 0.67 ALDH1A1 (0.49) KMT2AMEN1KCNH2TDP1MAPT

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-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS KEAP1 1330/4885NFE2L2 1583/4885KMT2A 2711/4885

“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.