SCHEMBL337816

SCHEMBL337816

CC[C@@H]1C(=O)N(O)c2cnc(Cl)nc2N1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.48
PLK2 Q9NYY3 18/20 0.48
PLK3 Q9H4B4 15/20 0.46
BRD4 O60885 1/20 0.43
TAF1 P21675 1/20 0.43
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43

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
SCHEMBL10320062 0.87 PLK1 (0.61) PLK1PLK2PLK3BRD4TAF1
SCHEMBL376094 0.87 PLK1 (0.61) PLK1PLK2PLK3BRD4TAF1
SCHEMBL1527197 0.87 PLK1 (0.61) PLK1PLK2PLK3BRD4TAF1
SCHEMBL14310496 0.86 PLK1 (0.48) PLK1PLK2PLK3BRD4TAF1
SCHEMBL4516187 0.86 PLK1 (0.48) PLK1PLK2PLK3BRD4TAF1
SCHEMBL18261942 0.86 PLK1 (0.48) PLK1PLK2PLK3BRD4TAF1
SCHEMBL6840311 0.85 PLK1 (0.58) PLK1PLK2PLK3BRD4TAF1
SCHEMBL12345547 0.84 PLK1 (0.46) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2028362 0.82 PLK1 (0.55) PLK1PLK2PLK3BRD4TAF1
SCHEMBL2028361 0.82 PLK1 (0.55) PLK1PLK2PLK3BRD4TAF1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436685-B1 Intermediate products for producing annulated piperazine-2-on derivatives BOEHRINGER INGELHEIM INT (DE) 2015-07-01 EP disclosed
EP-2436685-B1 Intermediate products for producing annulated piperazine-2-on derivatives BOEHRINGER INGELHEIM INT (DE) 2015-07-01 EP disclosed
EP-1819706-B1 METHOD FOR PRODUCING ANNELATED PIPERAZIN-2-ONE DERIVATIVES AND INTERMEDIATES OF SAID METHOD BOEHRINGER INGELHEIM INT (DE) 2012-09-19 EP disclosed
EP-1819706-B1 METHOD FOR PRODUCING ANNELATED PIPERAZIN-2-ONE DERIVATIVES AND INTERMEDIATES OF SAID METHOD BOEHRINGER INGELHEIM INT (DE) 2012-09-19 EP disclosed
US-RE43115-E1 Process for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-17 US disclosed
US-RE43115-E1 Process for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-17 US disclosed
US-RE43115-E1 Process for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-17 US disclosed
US-7626019-B2 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7626019-B2 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7626019-B2 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-06 US disclosed
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-06 US disclosed
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-06 US disclosed
EP-1819706-A1 METHOD FOR PRODUCING ANNELATED PIPERAZIN-2-ONE DERIVATIVES AND INTERMEDIATES OF SAID METHOD Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
US-7238807-B2 Hydrogenating a nitropyrimidine derivative with hydrogen in the presence of a hydrogenation catalyst, adding a copper, iron or vanadium compound to produce 7,8-dihydro-5H-pteridin-6-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-03 US disclosed
US-7238807-B2 Hydrogenating a nitropyrimidine derivative with hydrogen in the presence of a hydrogenation catalyst, adding a copper, iron or vanadium compound to produce 7,8-dihydro-5H-pteridin-6-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-03 US disclosed
US-7238807-B2 Hydrogenating a nitropyrimidine derivative with hydrogen in the presence of a hydrogenation catalyst, adding a copper, iron or vanadium compound to produce 7,8-dihydro-5H-pteridin-6-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-03 US disclosed
US-20060122393-A1 Process for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 US disclosed
WO-2006058876-A1 METHOD FOR PRODUCING ANNELATED PIPERAZIN-2-ONE DERIVATIVES AND INTERMEDIATES OF SAID METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 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-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PLK1 693/4885PLK2 271/4885PLK3 905/4885
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PLK1 637/4885PLK2 342/4885PLK3 1005/4885
US-20060122393-A1 Process for the manufacture of fused piperazin-2-one derivatives DPYD, CYP1B1, DHFR PLK1 332/4885PLK2 359/4885PLK3 415/4885

“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.