SCHEMBL1817109

SCHEMBL1817109

O=[N+]([O-])c1ccc(N2CCN(C3CCCC3O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.64
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 4/20 0.56
POLB P06746 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
LMNA P02545 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL1043500 0.82 MEN1 (0.76) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL5742634 0.80 MEN1 (0.76) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL1046692 0.79 MEN1 (0.86) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL1045268 0.78 MEN1 (0.74) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL6151230 0.78 SIRT6 (0.81) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL15271381 0.78 SIRT6 (0.81) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL1815243 0.78 SLC18A3 (0.67) SLC18A3MEN1KMT2AMAPTPOLB
SCHEMBL27789 0.77 MAPT (0.64) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL22466099 0.77 MEN1 (0.77) MEN1KMT2AMAPTPOLBSIRT6
SCHEMBL7048817 0.77 MAPT (0.85) MEN1KMT2AMAPTPOLBSIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
CN-101432284-B Dihydropyrazolopyrimidinone derivative MSD KK 2012-08-15 CN disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 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 (4 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SLC18A3 4872/4885MEN1 2199/4885KMT2A 1433/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 SLC18A3 4872/4885MEN1 2199/4885KMT2A 1433/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 SLC18A3 4872/4885MEN1 2199/4885KMT2A 1433/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SLC18A3 4872/4885MEN1 2199/4885KMT2A 1433/4885

“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.