SCHEMBL2198538

SCHEMBL2198538

COc1ccc(F)cc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.52
LRRK2 Q5S007 6/20 0.48
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
PIK3CG P48736 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
SCHEMBL2198551 1.00 METAP2 (0.52) METAP2LRRK2CHRNB4CHRNA3ADORA3
SCHEMBL2200786 0.90 METAP2 (0.55) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2203342 0.90 METAP2 (0.55) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2199840 0.90 METAP2 (0.58) METAP2LRRK2CHRNB4CHRNA3ADORA3
SCHEMBL2199826 0.90 METAP2 (0.58) METAP2LRRK2CHRNB4CHRNA3ADORA3
SCHEMBL2200396 0.89 METAP2 (0.55) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2201101 0.89 METAP2 (0.55) METAP2LRRK2ADORA3ADORA2AADORA1
SCHEMBL2202512 0.89 METAP2 (0.57) METAP2LRRK2
SCHEMBL2202518 0.89 METAP2 (0.57) METAP2LRRK2
SCHEMBL2198189 0.84 METAP2 (0.61) METAP2LRRK2ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP claimed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US claimed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US claimed
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
EP-1912994-A1 ADENINE DERIVATIVES Merck Patent GmbH (DE) 2008-04-23 EP disclosed
WO-2007017069-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-15 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 METAP2 3595/4885LRRK2 759/4885CHRNB4 4645/4885

“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.