SCHEMBL8513480

SCHEMBL8513480

CN1CCc2ncc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3nccs3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 11/20 0.42
PLK1 P53350 2/20 0.37
MAP3K14 Q99558 2/20 0.37
AXL P30530 1/20 0.36
LCK P06239 4/20 0.35
SRC P12931 4/20 0.35
KDR P35968 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL213397 0.91 WEE1 (0.49) WEE1PLK1AXLBTK
SCHEMBL215264 0.91 WEE1 (0.47) WEE1PLK1AXLBTK
SCHEMBL8511197 0.90 WEE1 (0.46) WEE1PLK1AXLBTK
SCHEMBL9609440 0.88 WEE1 (0.43) WEE1PLK1AXLSRCBTK
SCHEMBL215998 0.85 WEE1 (0.55) WEE1PLK1LCKSRCKDR
SCHEMBL8509718 0.83 WEE1 (0.49) WEE1PLK1BTK
SCHEMBL8511335 0.82 WEE1 (0.52) WEE1PLK1LCKSRCKDR
SCHEMBL8513897 0.82 CAMK2D (0.44) WEE1AXLLCKSRCKDR
SCHEMBL8514074 0.81 WEE1 (0.43) WEE1PLK1LCKSRCKDR
SCHEMBL8513938 0.80 WEE1 (0.48) WEE1LCKSRCKDRBTK

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 636/4885MAP3K14 77/4885

“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.