SCHEMBL6589704

SCHEMBL6589704

C#CC(O)c1cccn1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BCHE P06276 1/20 0.38
BUB1 O43683 1/20 0.36
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
TNK2 Q07912 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.32
STS P08842 2/20 0.32
ABCB1 P08183 1/20 0.32
EPHX1 P07099 1/20 0.32
ATR Q13535 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL12414130 0.80 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL3835540 0.78 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL24440780 0.76 HSP90AA1 (0.43) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL8079706 0.72 HSP90AA1 (0.45) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL5849613 0.72 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL163016 0.72 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL15417736 0.72 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL4916320 0.72 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL367386 0.71 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL6591961 0.70 BCHE (0.35) BCHEBUB1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1231479-C Naphthostyrils compounds HOFFMANN LA ROCHE (CH) 2005-12-14 CN disclosed
EP-1358180-B1 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
CN-1487931-A Naphthostyrils compounds - 2004-04-07 CN disclosed
US-6531598-B1 Naphthostyrils HOFFMANN-LA ROCHE INC. 2003-03-11 US disclosed
US-6504034-B2 Cell antiproliferative agents; anticancer agents HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020147343-A1 Naphthostyrils CHEN YI (US) 2002-10-10 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-20020147343-A1 Naphthostyrils CCNI, CDKL1, CDK2 HSP90AA1 2543/4885HSP90AB1 2505/4885BCHE 3532/4885

“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.