SCHEMBL2456754

SCHEMBL2456754

Cc1nc2c(c(=O)[nH]1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.46
MAPT P10636 2/20 0.46
NAMPT P43490 2/20 0.44
PARP1 P09874 2/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
F12 P00748 2/20 0.43
PARP15 Q460N3 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
ESR2 Q92731 1/20 0.41
ADORA1 P30542 2/20 0.40
C5AR1 P21730 1/20 0.40
NR1H2 P55055 1/20 0.40
MTHFD2 P13995 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL13250475 0.90 PARP1 (0.51) SPRMAPTPARP1TNKS2PARP2
SCHEMBL13250471 0.88 C5AR1 (0.42) SPRMAPTNAMPTPARP1TNKS2
SCHEMBL417157 0.86 MAPT (0.45) SPRMAPTPARP1TNKS2PARP2
SCHEMBL21041448 0.85 MAPT (0.44) SPRMAPTPARP1TNKS2PARP2
SCHEMBL31128509 0.84 PARP1 (0.44) SPRMAPTPARP1TNKS2PARP2
SCHEMBL6220992 0.84 MAPT (0.43) SPRMAPTPARP1TNKS2PARP2
SCHEMBL30850341 0.80 SPR (0.49) SPRNAMPTPARP1PARP15PARP3
SCHEMBL9610905 0.80 MTHFD2 (0.53) SPRMAPTPARP1TNKS2PARP2
SCHEMBL28647996 0.80 PARP1 (0.47) SPRMAPTPARP1TNKS2PARP2
SCHEMBL31351571 0.79 PARP1 (0.42) SPRMAPTPARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615441-A1 COMPOUNDS AND COMPOSITIONS AS EIF4E INHIBITORS AND USES THEREOF Ribometrix, Inc. (US) 2025-09-17 EP disclosed
CN-118772141-A DNA polymerase Theta inhibitors for the treatment of cancer 艾立康药业股份有限公司 2024-10-15 CN disclosed
CN-118772113-A Nitrogen-containing heterocyclic compounds as DNA polymerase Theta inhibitors 艾立康药业股份有限公司 2024-10-15 CN disclosed
WO-2024103067-A1 COMPOUNDS AND COMPOSITIONS AS eIF4E INHIBITORS AND USES THEREOF RIBOMETRIX, INC. (US) 2024-05-16 WO disclosed
WO-2024103067-A1 COMPOUNDS AND COMPOSITIONS AS eIF4E INHIBITORS AND USES THEREOF RIBOMETRIX, INC. (US) 2024-05-16 WO disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 US disclosed
EP-2542086-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myrexis, Inc. (US) 2013-01-09 EP disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 WO disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 SPR 2003/4885MAPT 3884/4885NAMPT 596/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 SPR 2003/4885MAPT 3884/4885NAMPT 596/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 SPR 2003/4885MAPT 3884/4885NAMPT 596/4885

“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.