SCHEMBL5212495

SCHEMBL5212495

O/N=C(/Cc1cccc(Cl)n1)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
APP P05067 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
SARM1 Q6SZW1 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL5212496 1.00 NPC1 (0.38) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5215255 0.84 GPBAR1 (0.36) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL5215249 0.84 GPBAR1 (0.36) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL5212307 0.80 PLOD2 (0.50) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5943253 0.78 KCNK3 (0.35) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5943225 0.78 C1S (0.35) MEN1KMT2AGAATSHR
SCHEMBL5943250 0.78 KCNK3 (0.35) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5943229 0.78 C1S (0.35) MEN1KMT2AGAATSHR
SCHEMBL5354877 0.77 DRD4 (0.36) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5455414 0.77 GSK3B (0.33) ALDH1A1KDM4EMEN1KMT2AGAA

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 6 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
EP-1453830-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SmithKline Beecham Corporation (US) 2004-09-08 EP disclosed
WO-2003050120-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS ANTIHERPES AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-19 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 (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 NPC1 2064/4885ALDH1A1 164/4885KDM4E 381/4885
US-20040248903-A1 Pyrazolo-pyridine derivatives as antiherpes agents HRH4, HRH1, HRH2 NPC1 1780/4885ALDH1A1 132/4885KDM4E 354/4885

“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.