SCHEMBL5459581

SCHEMBL5459581

CN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(N3CCCC3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PTGS2 P35354 1/20 0.36
MAPK14 Q16539 2/20 0.33
HSP90AA1 P07900 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5459574 1.00 TDP1 (0.42) TDP1CYP1A2CYP2C19POLBMEN1
SCHEMBL6105126 0.89 ALDH1A1 (0.42) TDP1POLBMEN1KMT2APTGS2
SCHEMBL6105119 0.89 ALDH1A1 (0.42) TDP1POLBMEN1KMT2APTGS2
SCHEMBL6105200 0.85 POLB (0.36) TDP1POLBMEN1KMT2APTGS2
SCHEMBL6105204 0.85 POLB (0.36) TDP1POLBMEN1KMT2APTGS2
SCHEMBL5457542 0.83 MAPK14 (0.38) MEN1KMT2AMAPK14CSNK1DCSNK1E
SCHEMBL5458513 0.83 MAPK14 (0.48) TDP1CYP1A2CYP2C19POLBMEN1
SCHEMBL5458504 0.83 MAPK14 (0.48) TDP1CYP1A2CYP2C19POLBMEN1
SCHEMBL5457488 0.79 TDP1 (0.39) TDP1CYP1A2CYP2C19POLBMEN1
SCHEMBL5457485 0.79 TDP1 (0.39) TDP1CYP1A2CYP2C19POLBMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 TDP1 3009/4885CYP1A2 11/4885CYP2C19 2/4885

“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.