SCHEMBL2575732

SCHEMBL2575732

N#CC(CO)Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CTSC P53634 1/20 0.42
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ACACB O00763 1/20 0.36
DPP4 P27487 2/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL5501854 0.81 TRPA1 (0.52) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL10585788 0.81 CTSC (0.49) SLC6A4SLC6A2SLC6A3CTSCESR1
SCHEMBL353200 0.80 TRPA1 (0.48) CTSCKMT2ACYP1A2MAOB
SCHEMBL5908167 0.79 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CTSCESR1
SCHEMBL11302551 0.78 CTSC (0.47) SLC6A4SLC6A2SLC6A3CTSCCYP2C9
SCHEMBL31648126 0.77 DPP4 (0.40) KMT2APPARGPPARADPP4FAP
SCHEMBL18703964 0.76 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CTSCESR1
SCHEMBL4657515 0.75 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3CTSCESR1
SCHEMBL8922306 0.74 CTSC (0.41) SLC6A4SLC6A2SLC6A3CTSCCYP1A2
SCHEMBL6153738 0.73 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
CN-113474348-A Substituted oxopyridine derivatives 拜耳公司 2021-10-01 CN disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
CN-101516891-B Dihydrothieno pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2013-06-05 CN disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 US disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 EP disclosed
EP-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO 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-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA SLC6A4 2442/4885SLC6A2 3114/4885SLC6A3 2194/4885

“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.