SCHEMBL823772

SCHEMBL823772

CC(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MELK Q14680 11/20 0.43
HPGD P15428 1/20 0.40
MAP4K4 O95819 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DYRK1A Q13627 2/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK14 Q16539 1/20 0.38
TTK P33981 1/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL823770 0.88 MKNK1 (0.40) MELKMAP4K4DYRK1A
SCHEMBL823649 0.88 MEN1 (0.44) MELKHPGDMAP4K4RAB9ADYRK1A
SCHEMBL826252 0.88 HPGD (0.40) MELKHPGDMAP4K4NPC1RAB9A
SCHEMBL3340835 0.86 HPGD (0.42) MELKHPGDNPC1RAB9ALCK
SCHEMBL823813 0.85 MKNK1 (0.45) HPGDMAP4K4NPC1RAB9ALCK
SCHEMBL826356 0.84 IDH1 (0.38) MELKHPGDMAP4K4NPC1RAB9A
SCHEMBL823721 0.81 SMN1; SMN2 (0.51) HPGDMAP4K4NPC1RAB9ALCK
SCHEMBL823767 0.81 SMN1; SMN2 (0.53) HPGDMAP4K4NPC1RAB9ALCK
SCHEMBL3341799 0.75 RAB9A (0.48) MELKHPGDMAP4K4NPC1RAB9A
SCHEMBL825943 0.75 PDK2 (0.40) MELKMAP4K4DYRK1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
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-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
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 MELK 1835/4885HPGD 1119/4885MAP4K4 2930/4885

“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.