SCHEMBL9609440

SCHEMBL9609440

CN1CCCc2cc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3nccs3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 14/20 0.43
PLK1 P53350 2/20 0.39
TNK2 Q07912 1/20 0.39
AXL P30530 1/20 0.39
EGFR P00533 1/20 0.38
CSF1R P07333 2/20 0.38
BTK Q06187 1/20 0.38
NTRK1 P04629 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL215264 0.96 WEE1 (0.47) WEE1PLK1TNK2AXLBTK
SCHEMBL213397 0.94 WEE1 (0.49) WEE1PLK1TNK2AXLBTK
SCHEMBL8511197 0.93 WEE1 (0.46) WEE1PLK1TNK2AXLBTK
SCHEMBL8513480 0.88 WEE1 (0.42) WEE1PLK1AXLBTKSRC
SCHEMBL8511335 0.86 WEE1 (0.52) WEE1PLK1BTKKITSRC
SCHEMBL215998 0.86 WEE1 (0.55) WEE1PLK1BTKKITSRC
SCHEMBL8509718 0.85 WEE1 (0.49) WEE1PLK1BTKFLT3
SCHEMBL214363 0.84 WEE1 (0.50) WEE1PLK1TNK2AXLBTK
SCHEMBL216449 0.83 WEE1 (0.49) WEE1PLK1TNK2AXLBTK
SCHEMBL8513897 0.83 CAMK2D (0.44) WEE1AXLBTKKITSRC

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 4 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-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 636/4885TNK2 170/4885

“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.