SCHEMBL218477

SCHEMBL218477

CN1CCc2cc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5CCO[Si](C)(C)C(C)(C)C)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 14/20 0.46
PLK1 P53350 2/20 0.43
TNK2 Q07912 2/20 0.42
PTK2 Q05397 1/20 0.41
BTK Q06187 1/20 0.40
AXL P30530 1/20 0.40
ACVR1 Q04771 1/20 0.37

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
SCHEMBL213487 0.98 WEE1 (0.43) WEE1PLK1TNK2PTK2BTK
SCHEMBL217692 0.88 WEE1 (0.51) WEE1PLK1TNK2PTK2BTK
SCHEMBL8513926 0.87 WEE1 (0.48) WEE1PLK1TNK2PTK2BTK
SCHEMBL8513410 0.86 WEE1 (0.47) WEE1PLK1TNK2PTK2BTK
SCHEMBL218103 0.85 TNK2 (0.46) WEE1TNK2
SCHEMBL8513792 0.85 WEE1 (0.50) WEE1PLK1TNK2BTKAXL
SCHEMBL214788 0.81 TNK2 (0.45) WEE1TNK2
SCHEMBL214363 0.81 WEE1 (0.50) WEE1PLK1TNK2PTK2BTK
SCHEMBL216449 0.80 WEE1 (0.49) WEE1PLK1TNK2BTKAXL
SCHEMBL189352 0.78 WEE1 (0.52) WEE1PLK1TNK2BTKAXL

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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO 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.