SCHEMBL8514564

SCHEMBL8514564

CC(C)N1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 15/20 0.51
KCNH2 Q12809 1/20 0.51
PLK1 P53350 2/20 0.42
LCK P06239 3/20 0.42
SRC P12931 3/20 0.42
KDR P35968 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
FGFR1 P11362 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCND2 P30279 1/20 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
SCHEMBL8511340 0.92 WEE1 (0.49) WEE1KCNH2PLK1LCKSRC
SCHEMBL214554 0.91 WEE1 (0.53) WEE1KCNH2PLK1LCKSRC
SCHEMBL8513269 0.86 WEE1 (0.44) WEE1PLK1LCKSRCKDR
SCHEMBL8513478 0.86 WEE1 (0.44) WEE1PLK1LCKSRCKDR
SCHEMBL8512238 0.85 ADRA2A (0.46) WEE1PLK1LCKSRCKDR
SCHEMBL8510633 0.85 ADRA2A (0.46) WEE1PLK1LCKSRCKDR
SCHEMBL8513235 0.84 WEE1 (0.42) WEE1PLK1LCKSRCKDR
SCHEMBL217029 0.83 WEE1 (0.58) WEE1KCNH2PLK1LCKSRC
SCHEMBL188054 0.83 JAK2 (0.43) WEE1PLK1CDK4FGFR4EGFR
SCHEMBL8512470 0.83 JAK2 (0.43) WEE1PLK1CDK4FGFR4EGFR

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 1/4885KCNH2 2636/4885PLK1 636/4885

“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.