SCHEMBL6017629

SCHEMBL6017629

CCOC(=O)c1nc(-c2ccccn2)n(C)c(=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
CASP1 P29466 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41

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
SCHEMBL6018051 0.78 ALDH1A1 (0.44) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL6017939 0.77 KDM4E (0.43) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL6017918 0.76 CRHR1 (0.51) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL6017740 0.76 KMT2A (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6017640 0.74 MEN1 (0.51) KMT2AMEN1HTTRXFP1THRB
SCHEMBL6018991 0.74 SMN1; SMN2 (0.53) KMT2AMEN1ERCC1FEN1ERCC4
SCHEMBL23153544 0.74 RAB9A (0.51) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL6018046 0.73 KDM4E (0.42) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL6017765 0.73 ALDH1A1 (0.41) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL3060674 0.72 ALDH1A1 (0.44) KMT2AKDM4EALDH1A1HSD17B10HPGD

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-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 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 2004-11-18 US disclosed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 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-20040229892-A1 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 DUT, CDK6, TYMS LMNA 3623/4885NPC1 1325/4885RAB9A 3747/4885

“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.