SCHEMBL219529

SCHEMBL219529

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 14/20 0.56
PLK1 P53350 7/20 0.56
CSF1R P07333 2/20 0.48
LCK P06239 2/20 0.47
SRC P12931 2/20 0.47
KDR P35968 2/20 0.47
KCNH2 Q12809 1/20 0.46
EGFR P00533 1/20 0.46
FLT3 P36888 1/20 0.46
LYN P07948 1/20 0.46
KIT P10721 1/20 0.46
BRAF P15056 1/20 0.46
TYK2 P29597 1/20 0.46
ZAP70 P43403 1/20 0.46
SYK P43405 1/20 0.46
JAK3 P52333 1/20 0.46
MAPK10 P53779 1/20 0.46
TEK Q02763 1/20 0.46
BTK Q06187 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
SCHEMBL8514170 0.94 WEE1 (0.56) WEE1PLK1CSF1RLCKSRC
SCHEMBL216546 0.93 WEE1 (0.55) WEE1PLK1CSF1RLCKSRC
SCHEMBL9609443 0.90 WEE1 (0.58) WEE1PLK1LCKSRCKDR
SCHEMBL215704 0.90 SLC2A1 (0.47) WEE1PLK1LCKSRCKDR
SCHEMBL9609448 0.88 WEE1 (0.53) WEE1PLK1CSF1RLCKSRC
Trifluoroacetic Acid SCHEMBL8510574 0.88 WEE1 (0.55) WEE1PLK1LCKSRCKDR
SCHEMBL217029 0.88 WEE1 (0.58) WEE1PLK1LCKSRCKDR
Hydrochloric Acid SCHEMBL8511263 0.88 WEE1 (0.53) WEE1PLK1CSF1RLCKSRC
SCHEMBL215881 0.86 WEE1 (0.54) WEE1PLK1CSF1RKCNH2FLT3
SCHEMBL8514103 0.86 WEE1 (0.54) WEE1PLK1CSF1RKCNH2FLT3

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 9 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
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.