SCHEMBL22036737

SCHEMBL22036737

CC(C)(C)OC(=O)n1cccc1-c1ccccc1-c1cccn1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
PIK3R1 P27986 1/20 0.50
PIK3CA P42336 1/20 0.50
BCHE P06276 1/20 0.46
BUB1 O43683 1/20 0.46
TNK2 Q07912 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
ATR Q13535 1/20 0.37
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CAMK2B Q13554 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PDK4 Q16654 1/20 0.37
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37

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
SCHEMBL18812369 0.91 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL26819799 0.90 PIK3R1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL24697208 0.90 HSP90AA1 (0.48) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL14770848 0.88 HSP90AA1 (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL28334293 0.88 HSP90AA1 (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL28519533 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL17711777 0.87 PIK3R1 (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL13628889 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL28946565 0.86 HSP90AA1 (0.46) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE
SCHEMBL15417099 0.86 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
US-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 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 (2 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-20200165252-A1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2J2, CYP2D6 HSP90AA1 4224/4885HSP90AB1 4563/4885PIK3R1 3554/4885
US-11535619-B2 Hexacyclic heteroaromatic compounds for electronic devices ETV6, CYP2J2, CYP2D6 HSP90AA1 4224/4885HSP90AB1 4563/4885PIK3R1 3554/4885

“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.