SCHEMBL17634041

SCHEMBL17634041

COC(=O)C(C(=O)OC)C(C)CC#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP7 P55210 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL17638810 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TSHRALDH1A1MAPK1CASP7
SCHEMBL17634052 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TSHRALDH1A1MAPK1CASP7
SCHEMBL19300028 0.86 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL19300209 0.86 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL19300027 0.86 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL20408741 0.83 SMN1; SMN2 (0.35) SMN1; SMN2TSHRALDH1A1MAPK1CASP7
SCHEMBL6830271 0.78
SCHEMBL24250131 0.76 SMN1; SMN2 (0.36) SMN1; SMN2TSHRALDH1A1MAPK1CASP7
SCHEMBL17634066 0.76 TP53 (0.33) TSHRMCL1
SCHEMBL17634047 0.76 TP53 (0.33) TSHRMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062727-B Process for the preparation of (cyclopenta [ d ] pyrimidin-4-yl) piperazine compounds 豪夫迈·罗氏有限公司 2023-10-31 CN disclosed
EP-3626710-B1 PROCESS FOR PREPARING AN INTERMEDIATE IN THE SYNTHESIS OF (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-02-16 EP disclosed
EP-3626710-B1 PROCESS FOR PREPARING AN INTERMEDIATE IN THE SYNTHESIS OF (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-02-16 EP disclosed
US-10870626-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2020-12-22 US disclosed
CN-112062727-A Process for preparing (cyclopenta [ d ] pyrimidin-4-yl) piperazine compounds 豪夫迈·罗氏有限公司 2020-12-11 CN disclosed
CN-107001287-B Process for preparing (cyclopenta [ d ] pyrimidin-4-yl) piperazine compounds 豪夫迈·罗氏有限公司 2020-09-04 CN disclosed
EP-3626710-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-03-25 EP disclosed
US-10457648-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds GENENTECH INC. (US) 2019-10-29 US disclosed
EP-3197875-B1 PROCESSES FOR PREPARING (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-08-14 EP disclosed
EP-3197875-B1 PROCESSES FOR PREPARING (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-08-14 EP disclosed
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 US disclosed
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 US disclosed
EP-3197875-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-08-02 EP disclosed
WO-2016049414-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-31 WO disclosed
WO-2016049414-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-31 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 (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-10870626-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds PAK5, CDK5, PPIP5K2 SMN1; SMN2 2538/4885TSHR 2578/4885ALDH1A1 2185/4885
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 SMN1; SMN2 2538/4885TSHR 2578/4885ALDH1A1 2185/4885
US-10457648-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds PAK5, CDK5, PPIP5K2 SMN1; SMN2 2538/4885TSHR 2578/4885ALDH1A1 2185/4885

“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.