SCHEMBL1397402

SCHEMBL1397402

CCOC(=O)c1nc2c(s1)CC(C)(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.48
ALDH1A1 P00352 6/20 0.37
ACHE P22303 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL31389784 0.89 ALDH1A1 (0.39) PDK1ALDH1A1ACHESMN1; SMN2GAA
SCHEMBL31389830 0.86 PDK1 (0.38) PDK1ALDH1A1SMN1; SMN2GAAGABRP
SCHEMBL31389752 0.85 FABP4 (0.41) PDK1ALDH1A1ACHESMN1; SMN2GAA
SCHEMBL1397705 0.80 PDK1 (0.55) PDK1ALDH1A1
SCHEMBL12922693 0.79 PARP1 (0.53) PDK1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL8005977 0.79 PARP1 (0.50) PDK1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL977531 0.74 ADORA1 (0.52) PDK1ALDH1A1SMN1; SMN2GAAPARP1
SCHEMBL31389958 0.73 KDM4E (0.38) PDK1ALDH1A1ACHESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL978519 0.73 ADORA1 (0.53) PDK1ALDH1A1GAAPARP1MAPT
SCHEMBL12922681 0.73 F10 (0.49) ALDH1A1SMN1; SMN2GAAHTTMAPT

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
WO-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 PDK1 2146/4885ALDH1A1 1248/4885ACHE 1481/4885

“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.