SCHEMBL8510258

SCHEMBL8510258

CC(C)C(=O)N1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ccccn3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 11/20 0.48
PLK1 P53350 3/20 0.48
FLT3 P36888 4/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
MNAT1 P51948 2/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
SYK P43405 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.41
ALK Q9UM73 1/20 0.41
AXL P30530 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
SCHEMBL8509903 0.92 FLT3 (0.52) WEE1PLK1FLT3CDK1CCNB1
SCHEMBL8512760 0.91 WEE1 (0.53) WEE1PLK1FLT3CDK1CCNB1
SCHEMBL8511255 0.90 WEE1 (0.52) WEE1PLK1FLT3CDK1CCNB1
SCHEMBL8511340 0.89 WEE1 (0.49) WEE1PLK1FLT3
SCHEMBL8513501 0.89 WEE1 (0.40) WEE1PLK1JAK3PTK2AXL
SCHEMBL8514432 0.89 WEE1 (0.47) WEE1PLK1FLT3CDK1CCNB1
SCHEMBL8512653 0.89 WEE1 (0.48) WEE1PLK1FLT3CDK1CCNB1
SCHEMBL217029 0.89 WEE1 (0.58) WEE1PLK1FLT3SYKJAK3
SCHEMBL8511844 0.88 WEE1 (0.47) WEE1PLK1FLT3CDK1CCNB1
SCHEMBL8512818 0.88 WEE1 (0.46) WEE1PLK1FLT3CDK1CCNB1

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 636/4885FLT3 596/4885

“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.