SCHEMBL2646020

SCHEMBL2646020

CC(C)(C)OC(=O)n1cccc1-c1ccc(N)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
NR1H2 P55055 2/20 0.43
TNK2 Q07912 1/20 0.39
MET P08581 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
BUB1 O43683 1/20 0.38
BCHE P06276 1/20 0.35
ACLY P53396 1/20 0.34
ATR Q13535 1/20 0.34
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
APP P05067 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32

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
SCHEMBL25594975 0.86 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL24566138 0.85 HSP90AA1 (0.50) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL15417083 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL16880710 0.83 HSP90AA1 (0.45) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL16880689 0.83 HSP90AA1 (0.45) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL24697208 0.83 HSP90AA1 (0.48) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL30892390 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL17673749 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2
SCHEMBL24696513 0.79 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL978142 0.78 HSP90AA1 (0.55) HSP90AA1HSP90AB1PIK3R1PIK3CANR1H2

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-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-1926127-A Novel 2-heteroaryl substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-03-07 CN disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 HSP90AA1 3488/4885HSP90AB1 3177/4885PIK3R1 2721/4885

“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.