SCHEMBL2329181

SCHEMBL2329181

COc1ccnc2ccc(B3OCC(C)(C)CO3)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.46
DOT1L Q8TEK3 1/20 0.38
GAK O14976 6/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
RIPK2 O43353 5/20 0.36
COQ8A Q8NI60 5/20 0.36
NLK Q9UBE8 5/20 0.36
EPHB6 O15197 1/20 0.35
STK16 O75716 1/20 0.35
ABL1 P00519 1/20 0.35
ACVR1 Q04771 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
SRC P12931 1/20 0.34
TGFBR1 P36897 1/20 0.34
FGFR2 P21802 1/20 0.34

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
SCHEMBL1817600 0.82 EGFR (0.45) SNCADOT1LPDGFRBPDGFRASRC
SCHEMBL3094089 0.79 SNCA (0.43) SNCA
SCHEMBL8269010 0.75 SNCA (0.43) SNCAPDGFRBPDGFRA
SCHEMBL2416029 0.73 SNCA (0.42) SNCAAAK1
SCHEMBL16734840 0.70 ALDH1A1 (0.45) SNCA
SCHEMBL6220588 0.70 CYP11B1 (0.45) SNCAPDGFRBPDGFRAABL1
SCHEMBL4264297 0.69 SNCA (0.44) SNCA
SCHEMBL2273369 0.69 SNCA (0.56) SNCA
SCHEMBL11727493 0.69 GAK (0.61) DOT1LGAKPDGFRBPDGFRAFGFR2
SCHEMBL15301063 0.68 PRKAB2 (0.39) SNCA

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-1773775-B1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-08-17 EP disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; BRISTOL-MYERS SQUIBB COMPANY 2006-01-12 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-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; F12, F11, F2 SNCA 3394/4885DOT1L 3956/4885GAK 2722/4885

“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.