SCHEMBL826248

SCHEMBL826248

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PNP P00491 2/20 0.40
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
PARP1 P09874 1/20 0.39
MMP12 P39900 2/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MASP2 O00187 1/20 0.36
AOC3 Q16853 1/20 0.36
XDH P47989 2/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PDE2A O00408 1/20 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
SCHEMBL1477486 0.80 ALDH1A1 (0.41) SIRT2PARP1ALDH1A1PDE2ASMN1; SMN2
SCHEMBL825889 0.79 SIRT2 (0.49) NUDT1SIRT2HTR3EHTR3BHTR3A
SCHEMBL826249 0.71 TYMS (0.49) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL3925369 0.71 NOS1 (0.52) PNPPARP1ALDH1A1XDHKDM4E
SCHEMBL1790858 0.70 KDM4E (0.41) SIRT2PARP1MEN1ALDH1A1KMT2A
SCHEMBL3526052 0.70 KDM4E (0.40) PNPMEN1ALDH1A1KMT2AXDH
SCHEMBL2631905 0.69 PIM1 (0.38) SIRT2PNPPARP1MEN1ALDH1A1
SCHEMBL29465797 0.69 PIM1 (0.38) SIRT2PNPPARP1MEN1ALDH1A1
SCHEMBL7045259 0.68 NUDT1 (0.60) NUDT1PNPHTR3EHTR3BHTR3A
SCHEMBL17479628 0.68 LMNA (0.54) SIRT2ALDH1A1PDE2AKDM4ETP53

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 3 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
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 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 (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 NUDT1 37/4885SIRT2 2041/4885PNP 4/4885

“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.