SCHEMBL826110

SCHEMBL826110

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
MLYCD O95822 1/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ACSS2 Q9NR19 1/20 0.36
MKNK1 Q9BUB5 5/20 0.35
MKNK2 Q9HBH9 5/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS12 P56730 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL826328 0.92 HDAC4 (0.40) HDAC4MLYCDHPGDNPSR1KDM4E
SCHEMBL823657 0.88 HDAC4 (0.41) HDAC4MLYCDHPGDNPSR1KDM4E
SCHEMBL825747 0.88 MKNK2 (0.45) HDAC4MLYCDKDM4EACSS2MKNK1
SCHEMBL823648 0.87 HPGD (0.50) HDAC4MLYCDHPGDNPSR1KDM4E
SCHEMBL825764 0.85 MKNK1 (0.41) MLYCDHPGDKDM4EMKNK1MKNK2
SCHEMBL826277 0.85 JAK2 (0.39) MKNK1MKNK2ALDH1A1MAPTPOLB
SCHEMBL826145 0.85 MKNK2 (0.36) KDM4EMKNK1MKNK2KMT2AMAPK14
SCHEMBL826358 0.81 MKNK1 (0.45) HDAC4MKNK1MKNK2KMT2ANPC1
SCHEMBL826435 0.80 MKNK2 (0.43) HDAC4MLYCDACSS2MKNK1MKNK2
SCHEMBL825655 0.80 MKNK1 (0.47) HDAC4HPGDMKNK1MKNK2KMT2A

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 4444/4885MLYCD 894/4885HPGD 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.