SCHEMBL6095015

SCHEMBL6095015

CCOC(=O)c1nc(-n2cnc(C)n2)n(C)c(=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
NPC1 O15118 6/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 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
SCHEMBL7187230 0.83 ERCC1 (0.34) LMNAALDH1A1ADORA2AADORA1MAPT
SCHEMBL6094142 0.80 SMN1; SMN2 (0.40) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6094720 0.73 ALDH1A1 (0.39) KDM5BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3060674 0.72 ALDH1A1 (0.44) KDM5BALDH1A1KDM4ECYP1A2ADORA3
SCHEMBL6093597 0.72 HTT (0.52) LMNAALDH1A1KDM4EADORA3ADORA2A
SCHEMBL6093771 0.71 LMNA (0.35) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6087140 0.71 MAPK1 (0.40) LMNAKDM5BNPC1ALDH1A1RAB9A
SCHEMBL6094714 0.71 MAPT (0.40) LMNAALDH1A1KDM4ECYP2C19MAPT
SCHEMBL6094150 0.70 MAPT (0.38) LMNANPC1ALDH1A1NPSR1MAPT
SCHEMBL6086730 0.70 KDM5B (0.35) LMNAKDM5BALDH1A1KDM4EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004062613-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 LMNA 3550/4885KDM5B 1024/4885NPC1 866/4885

“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.