SCHEMBL216617

SCHEMBL216617

COC(=O)c1ccc2c(c1)c1nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3c(=O)n1n2-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 17/20 0.53
PLK1 P53350 11/20 0.53
FLT3 P36888 1/20 0.44
SLC2A1 P11166 1/20 0.44
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL214495 0.94 WEE1 (0.53) WEE1PLK1FLT3SLC2A1LCK
SCHEMBL8514103 0.93 WEE1 (0.54) WEE1PLK1FLT3SLC2A1
SCHEMBL8510610 0.92 WEE1 (0.53) WEE1PLK1FLT3SLC2A1LCK
SCHEMBL217545 0.91 SLC2A1 (0.43) WEE1PLK1SLC2A1LCKSRC
SCHEMBL9609442 0.89 WEE1 (0.56) WEE1PLK1FLT3LCKSRC
SCHEMBL217029 0.88 WEE1 (0.58) WEE1PLK1FLT3LCKSRC
SCHEMBL215881 0.87 WEE1 (0.54) WEE1PLK1FLT3SLC2A1
SCHEMBL9609447 0.87 WEE1 (0.51) WEE1PLK1LCKSRCKDR
SCHEMBL216546 0.87 WEE1 (0.55) WEE1PLK1LCKSRCKDR
SCHEMBL8510560 0.87 WEE1 (0.53) WEE1PLK1FLT3SLC2A1LCK

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 8 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
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 636/4885FLT3 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.