SCHEMBL825890

SCHEMBL825890

Nc1nc2ccc(Cl)nc2c(=S)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
NUDT1 P36639 2/20 0.36
KMT2A Q03164 2/20 0.36
MASP2 O00187 1/20 0.36
AOC3 Q16853 1/20 0.36
PLAU P00749 1/20 0.36
TYMS P04818 8/20 0.36
QTRT1 Q9BXR0 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 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
SCHEMBL826249 0.79 TYMS (0.49) BACE1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16084457 0.73 HTR3E (0.48) BACE1HTR3EHTR3BHTR3AHTR3D
SCHEMBL825889 0.71 SIRT2 (0.49) BACE1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3610382 0.71 NOS1 (0.49) ALDH1A1TYMSKDM4ENPC1MAPT
SCHEMBL3617066 0.66 KDM4E (0.48) ALDH1A1TDP1KDM4ENPC1GAA
SCHEMBL3922711 0.66 DHFR (0.53)
SCHEMBL29439675 0.66 DHFR (0.53)
SCHEMBL826248 0.64 NUDT1 (0.41) BACE1HTR3EHTR3BHTR3AHTR3D
SCHEMBL22715906 0.63 DHFR (0.37)
SCHEMBL22715191 0.63 ADORA1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2

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
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 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 (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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP BACE1 4505/4885HTR3E 1047/4885HTR3B 1096/4885
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK BACE1 3259/4885HTR3E 506/4885HTR3B 406/4885

“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.