SCHEMBL1333583

SCHEMBL1333583

C[C@@H]1CCCN1c1ccnc2ncnn12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.52
EGLN2 Q96KS0 1/20 0.46
PDE2A O00408 11/20 0.46
PDE3B Q13370 2/20 0.42
LRRK2 Q5S007 1/20 0.41
PDE3A Q14432 6/20 0.41
JAK3 P52333 1/20 0.40
DYRK1A Q13627 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
CDC42BPA Q5VT25 2/20 0.38
CDC42BPB Q9Y5S2 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL12125338 0.83 METAP2 (0.58) METAP2EGLN2PDE2APDE3BPDE3A
SCHEMBL1333582 0.82 METAP2 (0.52) METAP2PDE2APDE3BPDE3AKDM4E
SCHEMBL1333147 0.80 METAP2 (0.58) METAP2EGLN2PDE2APDE3BPDE3A
SCHEMBL1333145 0.80 METAP2 (0.58) METAP2EGLN2PDE2APDE3BPDE3A
SCHEMBL14956499 0.78 METAP2 (0.45) METAP2EGLN2PDE2APDE3BPDE3A
SCHEMBL1331872 0.76 METAP2 (0.60) METAP2EGLN2PDE2APDE3BPDE3A
SCHEMBL1332343 0.76 METAP2 (0.60) METAP2EGLN2PDE2APDE3BPDE3A
SCHEMBL7903221 0.74 METAP2 (0.70) METAP2PDE2APDE3AALDH1A1
SCHEMBL17204363 0.73 ALDH1A1 (0.46) METAP2EGLN2PDE2APDE3BPDE3A
SCHEMBL1333293 0.72 METAP2 (0.58) METAP2EGLN2PDE2APDE3BPDE3A

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
EP-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP claimed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US claimed

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 METAP2 1/4885EGLN2 1980/4885PDE2A 2740/4885

“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.