SCHEMBL1331960

SCHEMBL1331960

CC1CN(c2ccnc3ncnn23)CC(C)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
PDE2A O00408 2/20 0.39
RCE1 Q9Y256 1/20 0.39
HTT P42858 1/20 0.38
METAP2 P50579 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GLA P06280 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL14956499 0.78 METAP2 (0.45) GAAL3MBTL1KMT2ATDP1KDM4E
SCHEMBL1333149 0.75 LMNA (0.44) GAAL3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL25857841 0.74 ALDH1A1 (0.47) GAAKDM4EALDH1A1PDE2ARCE1
SCHEMBL17204363 0.73 ALDH1A1 (0.46) GAAKDM4EALDH1A1PDE2ARCE1
SCHEMBL1333583 0.71 METAP2 (0.52) GAAKDM4EALDH1A1PDE2AMETAP2
SCHEMBL3063079 0.67 TSHR (0.57) GAAL3MBTL1KMT2ATDP1KDM4E
SCHEMBL1331907 0.66 PDE2A (0.40) PDE2A
SCHEMBL1333582 0.65 METAP2 (0.52) GAAKDM4EALDH1A1PDE2ARCE1
SCHEMBL7899954 0.64 ALDH1A1 (0.52) GAAKDM4EALDH1A1RCE1HSD17B10
SCHEMBL1331466 0.64 ALDH1A1 (0.45) GAAKMT2AKDM4EALDH1A1RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US claimed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
WO-2010083870-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-07-29 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 GAA 1410/4885L3MBTL1 1683/4885KMT2A 885/4885

“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.