SCHEMBL2568645

SCHEMBL2568645

Cc1c(O)cc(O)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 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
SCHEMBL10758352 0.77 ACHE (0.46) ACHECYP3A4ALDH1A1GAAMAPT
SCHEMBL2570639 0.75 ACHE (0.43) ACHECYP3A4ALDH1A1GAAMAPT
SCHEMBL26287618 0.71 ACHE (0.40) ACHECYP3A4ALDH1A1GAAMAPT
SCHEMBL5215727 0.68 SMN1; SMN2 (0.34) ACHECYP3A4ALDH1A1GAAMAPT
SCHEMBL2536467 0.67 ACHE (0.46) ACHECYP3A4ALDH1A1GAAMAPT
SCHEMBL1293620 0.66 ACHE (0.58) ACHECYP3A4ALDH1A1GAAMAPT
SCHEMBL10813311 0.65 PDE10A (0.34) PDE10A
SCHEMBL10746044 0.65 PDE10A (0.34) ALDH1A1PDE10A
SCHEMBL13385509 0.64 HTT (0.47) CYP3A4ALDH1A1GAAMAPTHTT
SCHEMBL1671480 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672125-A Chlorination of β-methylpyridine compounds THE DOW CHEMICAL COMPANY (US) 1987-06-09 US claimed
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
CN-101384593-A 3-deazapurine derivatives as tlr7 modulators PFIZER LTD (GB) 2009-03-11 CN disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 US disclosed
US-4672125-A Chlorination of β-methylpyridine compounds THE DOW CHEMICAL COMPANY (US) 1987-06-09 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 (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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 ACHE 4870/4885CYP3A4 1387/4885ALDH1A1 2389/4885

“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.