SCHEMBL13672437

SCHEMBL13672437

COC(=O)c1nc2n(c(=O)c1O)CCN(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ERCC1 P07992 2/20 0.33
FEN1 P39748 2/20 0.33
ERCC4 Q92889 2/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
RNASEH1 O60930 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL13672438 0.85 MAPK1 (0.39) KDM4EKMT2ALMNACYP2C19MAPT
SCHEMBL1750234 0.85 MAPT (0.45) NPSR1KDM4EKMT2ALMNACYP2C19
SCHEMBL2207714 0.84 NPSR1 (0.34) NPSR1KDM4EKMT2AMAPTPOLB
SCHEMBL1750708 0.83 MAPK1 (0.47) KDM4EKMT2AMAPTPOLBRXFP1
SCHEMBL1749829 0.82 MAPK1 (0.49) KDM4EKMT2AMAPTPOLBRXFP1
SCHEMBL2206374 0.80 ALDH1A1 (0.40) NPSR1KDM4EKMT2AMAPTPOLB
SCHEMBL2208594 0.79 NR1H2 (0.44) LMNAMAPTPOLBALDH1A1USP2
SCHEMBL2206687 0.74 NPSR1 (0.32) NPSR1ERCC1FEN1ERCC4KDM4C
SCHEMBL12511105 0.73 LMNA (0.33) KDM4EKMT2ALMNACYP2C19MAPT
SCHEMBL13953756 0.69 ALDH1A1 (0.40) NPSR1KDM4EPOLBERCC1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 NPSR1 3466/4885KDM4E 1040/4885KMT2A 1004/4885

“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.