SCHEMBL8514433

SCHEMBL8514433

CN1CCC(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 9/20 0.53
KCNH2 Q12809 1/20 0.51
PLK1 P53350 2/20 0.47
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
MAP4K1 Q92918 6/20 0.43
STAT6 P42226 1/20 0.43
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
CSF1R P07333 1/20 0.42

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
SCHEMBL214554 0.87 WEE1 (0.53) WEE1KCNH2PLK1KITKDR
SCHEMBL188583 0.86 WEE1 (0.46) WEE1PLK1KITKDR
SCHEMBL216994 0.86 WEE1 (0.48) WEE1PLK1
SCHEMBL8513220 0.85 CAMK2D (0.43) WEE1KCNH2KDR
SCHEMBL189352 0.85 WEE1 (0.52) WEE1PLK1
SCHEMBL9609435 0.85 FLT4 (0.45) KCNH2FLT4KDR
SCHEMBL214363 0.85 WEE1 (0.50) WEE1PLK1
SCHEMBL8514666 0.83 JAK3 (0.43) WEE1KCNH2PLK1KITKDR
SCHEMBL8513281 0.83 JAK3 (0.43) WEE1KCNH2PLK1KITKDR
SCHEMBL8513840 0.83 PTK2 (0.40) WEE1KCNH2PLK1

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 1/4885KCNH2 2636/4885PLK1 636/4885

“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.