SCHEMBL3392879

SCHEMBL3392879

CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.47
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL28719794 1.00 SETD7 (0.47) SETD7PDK1PDK2PDK3PDK4
SCHEMBL28719848 1.00 SETD7 (0.47) SETD7PDK1PDK2PDK3PDK4
SCHEMBL3395559 0.88 SETD7 (0.47) SETD7PDK1PDK2PDK3PDK4
SCHEMBL18701809 0.88 SETD7 (0.49) SETD7USP2SMN1; SMN2NR1H2MEN1
SCHEMBL4336794 0.86 SETD7 (0.52) SETD7USP2SMN1; SMN2NR1H2MEN1
SCHEMBL28055264 0.84 SETD7 (0.51) SETD7USP2SMN1; SMN2NR1H2MEN1
SCHEMBL28060463 0.83 SETD7 (0.50) SETD7USP2SMN1; SMN2NR1H2MEN1
SCHEMBL26666330 0.83 SETD7 (0.50) SETD7USP2SMN1; SMN2NR1H2MEN1
SCHEMBL17560369 0.83 SETD7 (0.50) SETD7USP2SMN1; SMN2NR1H2MEN1
SCHEMBL17560370 0.83 SETD7 (0.50) SETD7USP2SMN1; SMN2NR1H2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088098-B Quinazolinone PARP-1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-04-15 CN disclosed
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines WU WENXUE 2010-09-30 US disclosed
US-7745626-B2 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION (US) 2010-06-29 US disclosed
EP-2141143-A2 Stereoselective alkylation of chiral 2-methyl-4 protected piperazines SCHERING CORPORATION (US) 2010-01-06 EP disclosed
EP-2141153-A2 Stereoselective alkylation of chiral 2-methyl-4 protected piperazines SCHERING CORPORATION (US) 2010-01-06 EP disclosed
EP-1490346-B1 STEREOSELECTIVE ALKYLATION OF CHIRAL 2-METHYL-4-PROTECTED PIPERAZINES SCHERING CORP (US) 2009-12-02 EP disclosed
US-20050171120-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines WU WENXUE (US) 2005-08-04 US disclosed
US-6872826-B2 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION (US) 2005-03-29 US disclosed
US-20030208074-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION 2003-11-06 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-20050171120-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines AZI2, ALKBH5, DNMT1 SETD7 145/4885PDK1 4138/4885PDK2 2863/4885
US-20030208074-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines AZI2, DNMT1, ALKBH5 SETD7 147/4885PDK1 4010/4885PDK2 2784/4885
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines ALKBH5, AZI2, PNMT SETD7 126/4885PDK1 4262/4885PDK2 3049/4885

“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.