SCHEMBL213514

SCHEMBL213514

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3c(OCCOC4CCCCO4)cccc3n5-c3ccccn3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.47
PLK1 P53350 11/20 0.47

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
SCHEMBL215557 0.89 WEE1 (0.46) WEE1PLK1
SCHEMBL8510416 0.86 WEE1 (0.56) WEE1PLK1
SCHEMBL9609448 0.83 WEE1 (0.53) WEE1PLK1
SCHEMBL9609450 0.83 WEE1 (0.54) WEE1PLK1
Hydrochloric Acid SCHEMBL8511263 0.83 WEE1 (0.53) WEE1PLK1
SCHEMBL8513595 0.83 WEE1 (0.53) WEE1PLK1
SCHEMBL215794 0.82 WEE1 (0.36) WEE1
SCHEMBL215920 0.81 TNK2 (0.47)
SCHEMBL8510577 0.81 WEE1 (0.54) WEE1PLK1
SCHEMBL9609443 0.80 WEE1 (0.58) WEE1PLK1

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 636/4885

“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.