SCHEMBL16624814

SCHEMBL16624814

CC[C@@H](C)c1c(Cl)ncnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ENPP1 P22413 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL24227162 1.00 SELE (0.35) SELEVCAM1ALDH1A1ENPP1LMNA
SCHEMBL3794331 0.88 SELE (0.32) SELEVCAM1
SCHEMBL19294662 0.86 TSHR (0.33) SELEVCAM1TSHR
SCHEMBL19294653 0.86 SELE (0.31) SELEVCAM1
SCHEMBL20977931 0.84 SELE (0.34) SELEVCAM1ALDH1A1ENPP1LMNA
SCHEMBL2800108 0.80 SELE (0.31) SELEVCAM1ALDH1A1LMNASMN1; SMN2
SCHEMBL310462 0.76 RECQL (0.39) SELEVCAM1ALDH1A1ENPP1LMNA
SCHEMBL2059090 0.75 PDE4A (0.34) SELEVCAM1ALDH1A1LMNASMN1; SMN2
SCHEMBL17634063 0.75 IDH1 (0.31)
SCHEMBL18923604 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485276-A Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2022-12-16 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-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-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US 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
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENETECH, INC. (US) 2015-04-09 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 (2 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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD SELE 4816/4885VCAM1 3991/4885ALDH1A1 768/4885
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 SELE 4661/4885VCAM1 3713/4885ALDH1A1 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.