SCHEMBL825889

SCHEMBL825889

Nc1nc(=S)c2nc(Cl)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
NUDT1 P36639 4/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
BACE1 P56817 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MMP12 P39900 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MASP2 O00187 1/20 0.36
AOC3 Q16853 1/20 0.36
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS1 P23219 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
SCHEMBL826248 0.79 NUDT1 (0.41) SIRT2NUDT1HTR3EHTR3BHTR3A
SCHEMBL825890 0.71 BACE1 (0.43) SIRT2NUDT1HTR3EHTR3BHTR3A
SCHEMBL7045259 0.68 NUDT1 (0.60) NUDT1HTR3EHTR3BHTR3ABACE1
SCHEMBL17513322 0.66 SIRT2 (1.00) SIRT2ALDH1A1KMT2AMEN1HPGD
SCHEMBL17276017 0.66 NUDT1 (0.49) NUDT1HTR3EHTR3BHTR3ABACE1
SCHEMBL17276081 0.66 NUDT1 (0.49) NUDT1HTR3EHTR3BHTR3ABACE1
SCHEMBL17276018 0.66 NUDT1 (0.49) NUDT1HTR3EHTR3BHTR3ABACE1
SCHEMBL826249 0.64 TYMS (0.49) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL3621093 0.64 SIRT2 (0.44) SIRT2ALDH1A1KMT2AMEN1TP53
SCHEMBL20987977 0.64 ALDH1A1 (0.50) NUDT1HTR3EHTR3BHTR3ABACE1

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-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP SIRT2 2041/4885NUDT1 37/4885HTR3E 1047/4885

“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.