SCHEMBL823657

SCHEMBL823657

CC(C)CNC(=O)c1ccc(-c2ccc3nc(N)nc(OC(C)C)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MLYCD O95822 1/20 0.39
NAMPT P43490 2/20 0.37
MKNK1 Q9BUB5 4/20 0.36
MKNK2 Q9HBH9 4/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS12 P56730 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK14 Q16539 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL823648 0.89 HPGD (0.50) HDAC4HPGDNPSR1KDM4EMLYCD
SCHEMBL826110 0.88 HDAC4 (0.41) HDAC4HPGDNPSR1KDM4EMLYCD
SCHEMBL823683 0.87 MKNK2 (0.46) HDAC4KDM4EMLYCDMKNK1MKNK2
SCHEMBL823810 0.87 NAMPT (0.42) KDM4ENAMPTMKNK1MKNK2KMT2A
SCHEMBL823724 0.86 MKNK2 (0.38) NAMPTMKNK1MKNK2TLR7HDAC3
SCHEMBL826328 0.85 HDAC4 (0.40) HDAC4HPGDNPSR1KDM4EMLYCD
SCHEMBL823771 0.84 JAK2 (0.38) MKNK1MKNK2L3MBTL1ALDH1A1HDAC3
SCHEMBL823813 0.83 MKNK1 (0.45) HPGDNPSR1MKNK1MKNK2KMT2A
SCHEMBL3337836 0.82 KDM4E (0.42) HDAC4HPGDNPSR1KDM4EMLYCD
SCHEMBL823721 0.81 SMN1; SMN2 (0.51) HDAC4HPGDNPSR1MKNK1MKNK2

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 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.