SCHEMBL8512552

SCHEMBL8512552

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3cc(OCCO)ccc3n5-c3ccccn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 18/20 0.53
PLK1 P53350 12/20 0.53
LCK P06239 3/20 0.47
SRC P12931 2/20 0.47
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
FYN P06241 1/20 0.45
CYP3A4 P08684 1/20 0.45
WEE2 P0C1S8 1/20 0.45
BCR P11274 1/20 0.45
CSNK2A2 P19784 1/20 0.45
SYK P43405 1/20 0.45
CSNK1A1 P48729 1/20 0.45
NEK2 P51955 1/20 0.45
NEK3 P51956 1/20 0.45

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
SCHEMBL9609447 0.91 WEE1 (0.51) WEE1PLK1LCKSRCKDR
Hydrochloric Acid SCHEMBL218585 0.91 WEE1 (0.51) WEE1PLK1LCKSRCKDR
SCHEMBL8510674 0.91 WEE1 (0.51) WEE1PLK1LCKSRCKDR
SCHEMBL9609449 0.88 WEE1 (0.52) WEE1PLK1LCKSRCGAK
SCHEMBL9609442 0.88 WEE1 (0.56) WEE1PLK1LCKSRCKDR
SCHEMBL8510228 0.87 WEE1 (0.52) WEE1PLK1LCKSRCKDR
SCHEMBL8510416 0.87 WEE1 (0.56) WEE1PLK1LCKGAKEPHB6
SCHEMBL9609444 0.87 WEE1 (0.52) WEE1PLK1LCKSRCKDR
SCHEMBL9610722 0.87 WEE1 (0.49) WEE1PLK1LCKSRCKDR
SCHEMBL215557 0.86 WEE1 (0.46) WEE1PLK1LCKSRCABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 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 (1 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK WEE1 1/4885PLK1 636/4885LCK 540/4885

“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.