SCHEMBL1813872

SCHEMBL1813872

CN(C)C(=O)CN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
GFER P55789 6/20 0.57
KDM4E B2RXH2 5/20 0.57
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
RAD52 P43351 1/20 0.57
CASP6 P55212 1/20 0.54
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 3/20 0.49
ADRA2C P18825 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
S1PR1 P21453 1/20 0.43
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
THRB P10828 2/20 0.42

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
SCHEMBL2715987 0.83 GFER (0.63) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL13723844 0.81 MAPT (0.59) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL6698451 0.81 MAPT (0.59) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL1812473 0.80 POLB (0.63) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL2648811 0.80 ADRA2C (0.48) MAPTGFERSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6701215 0.79 MAPT (0.58) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL27808003 0.79 MAPT (0.66) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL13362089 0.79 MAPT (0.46) MAPTGAARAD52ALDH1A1LMNA
SCHEMBL22471168 0.79 GFER (0.57) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL1813682 0.77 MEN1 (0.49) KMT2AMEN1

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 9 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
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
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 MAPT 4041/4885GFER 2606/4885KDM4E 956/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 MAPT 4041/4885GFER 2606/4885KDM4E 956/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 MAPT 4041/4885GFER 2606/4885KDM4E 956/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 MAPT 4041/4885GFER 2606/4885KDM4E 956/4885

“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.