SCHEMBL215557

SCHEMBL215557

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3cc(OCCOC4CCCCO4)ccc3n5-c3ccccn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 16/20 0.46
PLK1 P53350 8/20 0.46
LCK P06239 2/20 0.42
SRC P12931 2/20 0.42
NUAK1 O60285 2/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
MARK3 P27448 2/20 0.40
MARK2 Q7KZI7 2/20 0.40
MARK4 Q96L34 2/20 0.40
NUAK2 Q9H093 2/20 0.40
MARK1 Q9P0L2 2/20 0.40
PIK3CD O00329 1/20 0.40
PRKAB2 O43741 1/20 0.40
CCNT1 O60563 1/20 0.40
ABL1 P00519 1/20 0.40
FYN P06241 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40

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
SCHEMBL213514 0.89 WEE1 (0.47) WEE1PLK1
SCHEMBL215920 0.88 TNK2 (0.47)
SCHEMBL8512552 0.86 WEE1 (0.53) WEE1PLK1LCKSRCABL1
SCHEMBL9609447 0.83 WEE1 (0.51) WEE1PLK1LCKSRCCSF1R
SCHEMBL9609449 0.83 WEE1 (0.52) WEE1PLK1LCKSRCABL1
SCHEMBL8510674 0.83 WEE1 (0.51) WEE1PLK1LCKSRCCSF1R
Hydrochloric Acid SCHEMBL218585 0.83 WEE1 (0.51) WEE1PLK1LCKSRCCSF1R
SCHEMBL216015 0.82 KDM4C (0.38) WEE1
SCHEMBL9610722 0.82 WEE1 (0.49) WEE1PLK1LCKSRCFLT3
SCHEMBL8510228 0.81 WEE1 (0.52) WEE1PLK1LCKSRCCSF1R

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 636/4885LCK 540/4885

“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.