SCHEMBL2546885

SCHEMBL2546885

c1ccc(-c2ccccc2OCC2CCCN2c2ncnc3[nH]cnc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.55
LRRK2 Q5S007 5/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CDC7 O00311 2/20 0.41
MARK3 P27448 2/20 0.41
STK3 Q13188 2/20 0.41
FFAR2 O15552 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
PRKCG P05129 1/20 0.41

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
SCHEMBL2546881 1.00 METAP2 (0.55) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2198189 0.87 METAP2 (0.61) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2201279 0.87 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2201270 0.87 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2203237 0.87 METAP2 (0.72) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2201950 0.87 METAP2 (0.72) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2542532 0.87 METAP2 (0.55) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2198182 0.87 METAP2 (0.61) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2199840 0.87 METAP2 (0.58) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2201957 0.87 METAP2 (0.72) METAP2ADORA3ADORA2AADORA1FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288351-B1 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2018-08-08 EP claimed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US claimed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US claimed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 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-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP METAP2 1/4885LRRK2 1311/4885ADORA3 1964/4885

“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.