SCHEMBL5212848

SCHEMBL5212848

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
HTT P42858 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GABRA1 P14867 1/20 0.38
TACR2 P21452 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT5B Q4FZB7 1/20 0.38
KMT5C Q86Y97 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK14 Q16539 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 2/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL5212553 0.89 GAA (0.42) GAAADORA3ADORA2AADORA1FYN
SCHEMBL5459554 0.88 ALOX5 (0.42) GAAALDH1A1MAPTALOX5MAPK14
SCHEMBL6105851 0.86 MAPT (0.42) ALDH1A1MAPTGFERSMN1; SMN2ALOX5
SCHEMBL6105090 0.85 TP53 (0.47) GAAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5217016 0.84 HTT (0.39) GAAALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL5217022 0.84 HTT (0.39) GAAALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL5451038 0.82 MAPT (0.35) GAAALDH1A1MAPTKDM4EFYN
SCHEMBL6104272 0.82 PIM1 (0.40) ALDH1A1MAPTSMN1; SMN2FYNRAB9A
SCHEMBL6106788 0.81 ALDH1A1 (0.38) GAAALDH1A1MAPTHTTADORA3
SCHEMBL6104555 0.80 ATM (0.40) ALDH1A1MAPTALOX5KDM4EFYN

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 GAA 1319/4885ALDH1A1 164/4885MAPT 1616/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 GAA 1480/4885ALDH1A1 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.