SCHEMBL2199855

SCHEMBL2199855

COc1ccc(OCC2CCCN2c2ncnc3[nH]cnc23)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.53
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
CASP3 P42574 1/20 0.39
FFAR2 O15552 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
DYRK1A Q13627 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36

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
SCHEMBL2199846 1.00 METAP2 (0.53) METAP2ADORA3ADORA2AADORA1CASP3
SCHEMBL2202577 0.89 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2202569 0.89 METAP2 (0.56) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2202518 0.87 METAP2 (0.57) METAP2
SCHEMBL2202512 0.87 METAP2 (0.57) METAP2
SCHEMBL2201025 0.86 METAP2 (0.57) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2201032 0.86 METAP2 (0.57) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2199958 0.85 METAP2 (0.55) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2199962 0.85 METAP2 (0.55) METAP2ADORA3ADORA2AADORA1FFAR2
SCHEMBL2202320 0.85 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 3 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

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 3595/4885ADORA3 49/4885ADORA2A 69/4885

“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.