SCHEMBL826328

SCHEMBL826328

CCC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NCC(C)C)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MLYCD O95822 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MKNK1 Q9BUB5 5/20 0.35
MKNK2 Q9HBH9 5/20 0.35
TLR7 Q9NYK1 2/20 0.34
PRSS12 P56730 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 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
SCHEMBL826110 0.92 HDAC4 (0.41) HDAC4HPGDNPSR1MLYCDACSS2
SCHEMBL826435 0.90 MKNK2 (0.43) HDAC4MLYCDACSS2MKNK1MKNK2
SCHEMBL826099 0.87 MKNK1 (0.40) HPGDMLYCDKDM4EMKNK1MKNK2
SCHEMBL823648 0.87 HPGD (0.50) HDAC4HPGDNPSR1MLYCDACSS2
SCHEMBL826101 0.87 MAP4K4 (0.38) MKNK1MKNK2L3MBTL1ALDH1A1MAPT
SCHEMBL825895 0.87 MKNK2 (0.34) MKNK1MKNK2TLR7TLR8MAPK14
SCHEMBL823657 0.85 HDAC4 (0.41) HDAC4HPGDNPSR1MLYCDACSS2
SCHEMBL825927 0.83 MKNK1 (0.43) HDAC4ACSS2MKNK1MKNK2SMN1; SMN2
SCHEMBL825728 0.82 MKNK1 (0.44) HDAC4HPGDACSS2MKNK1MKNK2
SCHEMBL826265 0.81 MKNK1 (0.44) HDAC4HPGDMKNK1MKNK2SMN1; 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 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 HDAC4 4444/4885HPGD 1119/4885NPSR1 4268/4885

“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.