SCHEMBL1397705

SCHEMBL1397705

CC1(C)CCc2nc(C(=O)O)sc2C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.55
ALDH1A1 P00352 1/20 0.37
FABP4 P15090 10/20 0.36
FABP5 Q01469 10/20 0.36
EEF2K O00418 5/20 0.33
CNR2 P34972 1/20 0.33
LIMK1 P53667 1/20 0.32
RAB7A P51149 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
SCHEMBL1397402 0.80 PDK1 (0.48) PDK1ALDH1A1
SCHEMBL5544815 0.77 PTPN1 (0.46) PDK1ALDH1A1
SCHEMBL11219854 0.75 PDK1 (0.49) PDK1ALDH1A1
SCHEMBL16809813 0.74 PDK1 (0.64) PDK1ALDH1A1FABP4FABP5LIMK1
SCHEMBL11228204 0.73 PDK1 (0.62) PDK1ALDH1A1LIMK1
SCHEMBL31389649 0.72 PDK1 (0.57) PDK1ALDH1A1CNR2LIMK1
SCHEMBL8003326 0.72 PDK1 (0.47) PDK1ALDH1A1
SCHEMBL6423539 0.72 GRM5 (0.35)
SCHEMBL15653322 0.72 RAB9A (0.49) PDK1ALDH1A1
SCHEMBL740820 0.71 GRM5 (0.34)

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 13 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-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
EP-3080122-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-10-31 EP disclosed
US-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2016-11-03 US disclosed
EP-3080122-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
WO-2015089327-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 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 (3 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-20160318935-A1 BIARYL BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, LYN PDK1 1575/4885ALDH1A1 4256/4885FABP4 4531/4885
US-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 PDK1 2146/4885ALDH1A1 1248/4885FABP4 2828/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN PDK1 1575/4885ALDH1A1 4256/4885FABP4 4531/4885

“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.