SCHEMBL826356

SCHEMBL826356

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.38
DYRK1A Q13627 7/20 0.38
HPGD P15428 1/20 0.38
MELK Q14680 5/20 0.38
MAP4K4 O95819 2/20 0.38
TTK P33981 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
BRD9 Q9H8M2 1/20 0.36

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
SCHEMBL826252 0.91 HPGD (0.40) DYRK1AHPGDMELKMAP4K4TTK
SCHEMBL825702 0.89 MET (0.38) DYRK1AMAP4K4
SCHEMBL823649 0.88 MEN1 (0.44) DYRK1AHPGDMELKMAP4K4RAB9A
SCHEMBL825927 0.86 MKNK1 (0.43) IDH1MAP4K4RAB9AMEN1KMT2A
SCHEMBL823772 0.84 MELK (0.43) IDH1DYRK1AHPGDMELKMAP4K4
SCHEMBL825728 0.83 MKNK1 (0.44) IDH1HPGDMAP4K4RAB9ANPC1
SCHEMBL826265 0.82 MKNK1 (0.44) IDH1HPGDMAP4K4RAB9ANPC1
SCHEMBL825943 0.80 PDK2 (0.40) DYRK1AMELKMAP4K4
SCHEMBL826358 0.77 MKNK1 (0.45) MAP4K4TTKRAB9AMEN1KMT2A
SCHEMBL3341799 0.76 RAB9A (0.48) HPGDMELKMAP4K4TTKRAB9A

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-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-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 IDH1 383/4885DYRK1A 3033/4885HPGD 1119/4885

“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.