SCHEMBL12636629

SCHEMBL12636629

Nc1nc2c(ncn2COCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HBB P68871 2/20 0.53
MAPK1 P28482 2/20 0.53
PNP P00491 7/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPRT1 P00492 3/20 0.49
F2 P00734 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
POLG P54098 1/20 0.47
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
IDE P14735 1/20 0.43

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
SCHEMBL12636647 0.98 MEN1 (0.52) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12636648 0.98 MEN1 (0.52) MEN1KMT2AHBBMAPK1PNP
SCHEMBL1880253 0.98 MEN1 (0.52) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12636642 0.91 MEN1 (0.49) MEN1KMT2AHBBMAPK1PNP
SCHEMBL1898365 0.90 MEN1 (0.45) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12636636 0.86 CNR2 (0.49) MEN1KMT2AHBBMAPK1PNP
SCHEMBL1882478 0.80 PNP (0.71) MEN1KMT2AHBBMAPK1PNP
SCHEMBL1884292 0.80 PNP (0.71) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12671989 0.79 MEN1 (0.66) MEN1KMT2AHBBMAPK1PNP
SCHEMBL9019935 0.79 MEN1 (0.68) MEN1KMT2AHBBMAPK1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 US disclosed
US-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 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-20110105417-A1 Drug Conjugates ABCB1, SLCO2B1, ABCG2 MEN1 1850/4885KMT2A 3940/4885HBB 4644/4885

“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.