SCHEMBL5217022

SCHEMBL5217022

CN(C)C=CC(=O)c1c(-c2ccncc2)nn2c(NC3CCCC3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 4/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROCK2 O75116 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL5217016 1.00 HTT (0.39) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5457485 0.90 TDP1 (0.39) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5457488 0.90 TDP1 (0.39) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5943280 0.88 ALDH1A1 (0.39) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5943287 0.88 ALDH1A1 (0.39) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5943215 0.87 TP53 (0.44) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL5943212 0.87 TP53 (0.44) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL6106977 0.84 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6106986 0.84 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5453422 0.84 MAPT (0.36) HTTALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453830-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-12 EP disclosed
US-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents GUDMUNDSSON KRISTJAN 2007-07-12 US disclosed
US-7199120-B2 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents SMITHKLINE BEECHAM CORPORATION 2004-12-09 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 (2 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-20070161653-A1 Pyrazolo-Pyridine Derivatives As Antiherpes Agents HRH4, HRH2, HRH1 HTT 645/4885ALDH1A1 164/4885MAPT 1616/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 HTT 711/4885ALDH1A1 132/4885MAPT 1457/4885

“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.