SCHEMBL8514394

SCHEMBL8514394

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccc(OCC(N)=O)cc3n5-c3ccccn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 13/20 0.51
▸ PLK1 P53350 7/20 0.51
▸ SLC2A1 P11166 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ FLT3 P36888 1/20 0.43
▸ LCK P06239 3/20 0.43
▸ SRC P12931 3/20 0.43
▸ KDR P35968 2/20 0.43
▸ STAT6 P42226 1/20 0.43

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
SCHEMBL8510674 0.95 WEE1 (0.51) WEE1PLK1SLC2A1CSF1RFLT3
SCHEMBL8510413 0.94 WEE1 (0.51) WEE1PLK1CSF1RLCKSRC
SCHEMBL9609444 0.91 WEE1 (0.52) WEE1PLK1FLT3LCKSRC
SCHEMBL9609453 0.91 WEE1 (0.52) WEE1PLK1LCKSRCKDR
Trifluoroacetic Acid SCHEMBL218106 0.91 WEE1 (0.49) WEE1PLK1SLC2A1LCKSRC
SCHEMBL8510187 0.90 LCK (0.53) WEE1PLK1FLT3LCKSRC
SCHEMBL9609446 0.89 WEE1 (0.52) WEE1PLK1LCKSRCKDR
SCHEMBL9609447 0.89 WEE1 (0.51) WEE1PLK1CSF1RLCKSRC
SCHEMBL8510560 0.89 WEE1 (0.53) WEE1PLK1SLC2A1CSF1RFLT3
SCHEMBL9609445 0.88 WEE1 (0.49) WEE1PLK1FLT3LCKSRC

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 2 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

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 636/4885SLC2A1 3951/4885

“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.

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