SCHEMBL10024797

SCHEMBL10024797

CCOC(=O)[C@@H](CC)N(c1nc(Cl)ncc1[N+](=O)[O-])C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PIN1 Q13526 8/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSB P07858 1/20 0.33
CASP6 P55212 1/20 0.32
VCAM1 P19320 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10450445 0.92 PIN1 (0.35) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1288258 0.92 PIN1 (0.35) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1288267 0.92 PIN1 (0.35) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1688441 0.91 PIN1 (0.36) ALDH1A1KMT2AMEN1GAAPIN1
SCHEMBL10320622 0.89 PIN1 (0.35) MAPTPIN1SMN1; SMN2
SCHEMBL1288247 0.89 PIN1 (0.35) MAPTPIN1SMN1; SMN2
SCHEMBL10320667 0.89 PIN1 (0.35) MAPTPIN1SMN1; SMN2
SCHEMBL736387 0.89 PIN1 (0.33) ALDH1A1GAAPIN1SMN1; SMN2
SCHEMBL1288246 0.89 PIN1 (0.35) MAPTPIN1SMN1; SMN2
SCHEMBL10320624 0.89 PIN1 (0.35) MAPTPIN1SMN1; SMN2

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 26 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-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-7750152-B2 Intermediate compounds for making dihydropteridinones useful as pharmaceutical compositions and processes of making the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-07-06 US disclosed
US-7750152-B2 Intermediate compounds for making dihydropteridinones useful as pharmaceutical compositions and processes of making the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-07-06 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-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions ONCOHEROES BIOSCIENCES INC. 2008-07-17 US disclosed
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions ONCOHEROES BIOSCIENCES INC. 2008-07-17 US disclosed
US-20070213529-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213529-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213531-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213531-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-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

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-20070213531-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS ALDH1A1 222/4885KMT2A 2180/4885MEN1 1745/4885
US-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS ALDH1A1 222/4885KMT2A 2180/4885MEN1 1745/4885
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions QDPR, DHPS, DHODH ALDH1A1 759/4885KMT2A 4704/4885MEN1 690/4885
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS ALDH1A1 222/4885KMT2A 2271/4885MEN1 1207/4885
US-20070213529-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS ALDH1A1 222/4885KMT2A 2180/4885MEN1 1745/4885

“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.