SCHEMBL8514170

SCHEMBL8514170

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 9/20 0.56
PLK1 P53350 4/20 0.56
CSF1R P07333 4/20 0.53
SLC2A1 P11166 2/20 0.51
SYK P43405 2/20 0.49
STAT6 P42226 1/20 0.48
FLT3 P36888 2/20 0.47
SRC P12931 2/20 0.47
NTRK1 P04629 1/20 0.47
KIT P10721 1/20 0.47
LCK P06239 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL219529 0.94 WEE1 (0.56) WEE1PLK1CSF1RSYKFLT3
SCHEMBL216546 0.92 WEE1 (0.55) WEE1PLK1CSF1RSRCLCK
SCHEMBL9609443 0.90 WEE1 (0.58) WEE1PLK1SYKFLT3SRC
SCHEMBL8513595 0.88 WEE1 (0.53) WEE1PLK1CSF1RSLC2A1FLT3
SCHEMBL8510610 0.88 WEE1 (0.53) WEE1PLK1CSF1RSLC2A1SYK
SCHEMBL8510560 0.88 WEE1 (0.53) WEE1PLK1CSF1RSLC2A1SYK
SCHEMBL217029 0.87 WEE1 (0.58) WEE1PLK1SYKFLT3SRC
Trifluoroacetic Acid SCHEMBL8510574 0.86 WEE1 (0.55) WEE1PLK1SYKSRCKIT
SCHEMBL9609448 0.86 WEE1 (0.53) WEE1PLK1CSF1RSYKSRC
Hydrochloric Acid SCHEMBL8511263 0.86 WEE1 (0.53) WEE1PLK1CSF1RSYKSRC

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 5 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-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
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 636/4885CSF1R 1468/4885

“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.