SCHEMBL828436

SCHEMBL828436

CSc1nc(N)nc2ccc(Cl)nc12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.36
DHFR P00374 2/20 0.34
MAP4K4 O95819 1/20 0.34
HSP90AA1 P07900 2/20 0.33
NUDT1 P36639 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL4100981 0.77 DHFR (0.51) DHFRNUDT1MAPT
SCHEMBL4102554 0.76 DHFR (0.44) DHFR
SCHEMBL3922711 0.76 DHFR (0.53) DHFRMAP4K4
SCHEMBL29439675 0.76 DHFR (0.53) DHFRMAP4K4
SCHEMBL826002 0.73 DHFR (0.37) DHFRMAP4K4PIK3CG
SCHEMBL4106586 0.72 DHFR (0.40) DHFRMAP4K4MAPT
SCHEMBL4107488 0.72 DHFR (0.35) DHFRMAP4K4MAPT
SCHEMBL3602585 0.72 ALDH1A1 (0.39) DHFRMAP4K4
SCHEMBL4103265 0.71 HSP90AB1 (0.47) DHFRMAP4K4
SCHEMBL4112502 0.70 HSP90AB1 (0.43) DHFRMAP4K4MAPT

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 4 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-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

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 MAP3K5 3448/4885DHFR 32/4885MAP4K4 2930/4885
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK MAP3K5 1634/4885DHFR 37/4885MAP4K4 1170/4885

“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.