SCHEMBL2206687

SCHEMBL2206687

CNC1CN(C)CCn2c1nc(C(=O)OC)c(O)c2=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
RNASEH1 O60930 1/20 0.31
ERCC1 P07992 2/20 0.31
FEN1 P39748 2/20 0.31
ERCC4 Q92889 2/20 0.31

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
SCHEMBL5314786 0.88 ERCC1 (0.35) ERCC1FEN1ERCC4
SCHEMBL2206140 0.85 KDM4C (0.32) KDM4CRNASEH1
SCHEMBL2207964 0.78 CYP2C9 (0.47)
SCHEMBL13672437 0.74 NPSR1 (0.36) NPSR1KDM4CRNASEH1ERCC1FEN1
SCHEMBL2202249 0.73 ALDH1A1 (0.43) NPSR1RNASEH1ERCC1FEN1ERCC4
SCHEMBL22079303 0.71 NPSR1 (0.39) NPSR1KDM4CRNASEH1ERCC1FEN1
SCHEMBL12529315 0.71 ALDH1A1 (0.36) NPSR1
SCHEMBL13672439 0.70 ALDH1A1 (0.38) NPSR1ERCC1FEN1ERCC4
SCHEMBL22079305 0.69 ADORA2A (0.40) NPSR1RNASEH1ERCC1FEN1ERCC4
SCHEMBL2204212 0.67 CYP2C9 (0.47)

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US 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 (2 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 NPSR1 3257/4885KDM4C 1787/4885RNASEH1 126/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 NPSR1 3466/4885KDM4C 2187/4885RNASEH1 190/4885

“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.