SCHEMBL1815951

SCHEMBL1815951

C=CCn1c(=O)c2cnc(Nc3ccc(N4CCCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.94
PLK1 P53350 6/20 0.94
PKMYT1 Q99640 2/20 0.94
GAK O14976 1/20 0.94
EPHB6 O15197 1/20 0.94
JAK2 O60674 1/20 0.94
PRKD3 O94806 1/20 0.94
MAP4K4 O95819 1/20 0.94
PAK4 O96013 1/20 0.94
ABL1 P00519 1/20 0.94
LCK P06239 1/20 0.94
FYN P06241 1/20 0.94
CYP3A4 P08684 1/20 0.94
WEE2 P0C1S8 1/20 0.94
BCR P11274 1/20 0.94
CSNK2A2 P19784 1/20 0.94
SYK P43405 1/20 0.94
CSNK1A1 P48729 1/20 0.94
NEK2 P51955 1/20 0.94
NEK3 P51956 1/20 0.94

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
Adavosertib SCHEMBL29381006 0.97 WEE1 (1.00) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL30559444 0.97 WEE1 (1.00) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL1504444 0.97 WEE1 (1.00) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL1504998 0.96 WEE1 (0.98) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL1504996 0.96 WEE1 (0.98) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL25890930 0.95 WEE1 (0.96) WEE1PLK1PKMYT1GAKEPHB6
Adavosertib SCHEMBL3579242 0.94 WEE1 (0.94) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL18797921 0.94 WEE1 (0.87) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL12622218 0.93 WEE1 (0.82) WEE1PLK1PKMYT1GAKEPHB6
SCHEMBL1813967 0.91 WEE1 (0.89) WEE1PLK1PKMYT1GAKEPHB6

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 12 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-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 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
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US 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 WEE1 1/4885PLK1 749/4885PKMYT1 852/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 WEE1 1/4885PLK1 749/4885PKMYT1 852/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 WEE1 1/4885PLK1 749/4885PKMYT1 852/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 WEE1 1/4885PLK1 749/4885PKMYT1 852/4885

“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.