SCHEMBL823742

SCHEMBL823742

Nc1nc(O[C@@H]2CCOC2)c2nc(-c3ccc(N4CCCC4=O)cc3)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
AKT1 P31749 1/20 0.34
NR3C1 P04150 1/20 0.33
FGFR4 P22455 1/20 0.33
AKR1C3 P42330 3/20 0.32
TSHR P16473 1/20 0.32
SLC2A1 P11166 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
SCHEMBL826270 1.00 SYK (0.36) SYKIP6K1IP6K3IP6K2PIK3CA
SCHEMBL4421609 0.83 MTOR (0.38) PIK3CAMTORALDH1A1HPGDAKT1
SCHEMBL3609814 0.81 HDAC1 (0.39) PIK3CAMTORAKT1
SCHEMBL13500401 0.81 HDAC1 (0.39) PIK3CAMTORAKT1
SCHEMBL3605007 0.81 HDAC1 (0.39) PIK3CAMTORAKT1
SCHEMBL4421606 0.79 CHEK2 (0.40) MTOR
SCHEMBL4097671 0.77 SYK (0.41) SYKIP6K1IP6K3IP6K2ALDH1A1
SCHEMBL4423840 0.76 ALOX5AP (0.38) PIK3CAMTORAKT1
SCHEMBL3612167 0.75 CHEK2 (0.37) PIK3CAMTORALDH1A1
SCHEMBL823662 0.75 PIK3CA (0.52) PIK3CAMTOR

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-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-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 (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 SYK 3994/4885IP6K1 1445/4885IP6K3 1392/4885

“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.