SCHEMBL2918458

SCHEMBL2918458

CN1CCNC(CC(N)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.32
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
PARP1 P09874 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
SCHEMBL24721279 1.00 BIRC2 (0.32) BIRC2KAT6AKAT5PARP1
SCHEMBL2911062 0.90 SMN1; SMN2 (0.33) BIRC2
SCHEMBL2911435 0.84 NCF1 (0.34)
SCHEMBL2915698 0.84 TSHR (0.40) BIRC2
SCHEMBL25154285 0.84 TSHR (0.40) BIRC2
SCHEMBL2917177 0.79 REN (0.35) BIRC2KAT6AKAT5
SCHEMBL2917590 0.79 DPP4 (0.34) BIRC2
SCHEMBL2921471 0.79 BRD4 (0.44) KAT6AKAT5
SCHEMBL28546522 0.78 ALOX15 (0.31) PARP1
SCHEMBL26060629 0.78 ATM (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
CN-100436445-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2008-11-26 CN disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
CN-101039934-A 1, 5-diheterocyclic-1H-triazole derivatives DAIICHI SEIYAKU CO (JP) 2007-09-19 CN disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
CN-1774435-A 5-membered heterocyclic derivative DAIICHI SEIYAKU CO (JP) 2006-05-17 CN disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 CN disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R BIRC2 4381/4885KAT6A 3882/4885KAT5 2038/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 BIRC2 4415/4885KAT6A 1872/4885KAT5 953/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 BIRC2 4149/4885KAT6A 3402/4885KAT5 1671/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 BIRC2 3704/4885KAT6A 687/4885KAT5 187/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 BIRC2 2596/4885KAT6A 3622/4885KAT5 655/4885

“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.