Sugi Predict

Sugi Predict / Compounds / SCHEMBL1813876

SCHEMBL1813876

SCHEMBL1813876

C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C[C@H](C)O)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 20/20 0.82
▸ PLK1 P53350 3/20 0.82
▸ GAK O14976 1/20 0.82
▸ EPHB6 O15197 1/20 0.82
▸ JAK2 O60674 1/20 0.82
▸ PRKD3 O94806 1/20 0.82
▸ MAP4K4 O95819 1/20 0.82
▸ PAK4 O96013 1/20 0.82
▸ ABL1 P00519 1/20 0.82
▸ LCK P06239 1/20 0.82
▸ FYN P06241 1/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ WEE2 P0C1S8 1/20 0.82
▸ BCR P11274 1/20 0.82
▸ CSNK2A2 P19784 1/20 0.82
▸ SYK P43405 1/20 0.82
▸ CSNK1A1 P48729 1/20 0.82
▸ NEK2 P51955 1/20 0.82
▸ NEK3 P51956 1/20 0.82
▸ JAK3 P52333 1/20 0.82

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
SCHEMBL1813874 1.00 WEE1 (0.82) WEE1PLK1GAKEPHB6JAK2
SCHEMBL1811412 0.93 WEE1 (0.79) WEE1PLK1GAKEPHB6JAK2
SCHEMBL1811413 0.93 WEE1 (0.79) WEE1PLK1GAKEPHB6JAK2
Adavosertib SCHEMBL3579242 0.92 WEE1 (0.94) WEE1PLK1GAKEPHB6JAK2
SCHEMBL1813878 0.92 WEE1 (0.86) WEE1PLK1GAKEPHB6JAK2
SCHEMBL1811019 0.92 WEE1 (0.89) WEE1PLK1GAKEPHB6JAK2
SCHEMBL1812482 0.91 WEE1 (0.85) WEE1PLK1GAKEPHB6JAK2
SCHEMBL1814334 0.91 WEE1 (0.85) WEE1PLK1GAKEPHB6JAK2
Adavosertib SCHEMBL1504444 0.90 WEE1 (1.00) WEE1PLK1GAKEPHB6JAK2
Adavosertib SCHEMBL29381006 0.90 WEE1 (1.00) WEE1PLK1GAKEPHB6JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 WEE1 1/4885PLK1 749/4885GAK 15/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 WEE1 1/4885PLK1 749/4885GAK 15/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 WEE1 1/4885PLK1 749/4885GAK 15/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 WEE1 1/4885PLK1 749/4885GAK 15/4885

“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.