SCHEMBL8513478

SCHEMBL8513478

CC(C)[C@H]1CN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2)CCN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 14/20 0.44
PLK1 P53350 2/20 0.40
LCK P06239 4/20 0.39
SRC P12931 4/20 0.39
KDR P35968 3/20 0.39
FLT3 P36888 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
LYN P07948 1/20 0.38
KIT P10721 1/20 0.38
BRAF P15056 1/20 0.38
TYK2 P29597 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL8513269 1.00 WEE1 (0.44) WEE1PLK1LCKSRCKDR
SCHEMBL8510633 0.90 ADRA2A (0.46) WEE1PLK1LCKSRCKDR
SCHEMBL8512238 0.90 ADRA2A (0.46) WEE1PLK1LCKSRCKDR
SCHEMBL214554 0.87 WEE1 (0.53) WEE1PLK1LCKSRCKDR
SCHEMBL8514564 0.86 WEE1 (0.51) WEE1PLK1LCKSRCKDR
SCHEMBL9609434 0.86 WEE1 (0.41) WEE1PLK1LCKSRCKDR
SCHEMBL188054 0.84 JAK2 (0.43) WEE1PLK1ZAP70
SCHEMBL8512470 0.84 JAK2 (0.43) WEE1PLK1ZAP70
SCHEMBL8513235 0.83 WEE1 (0.42) WEE1PLK1LCKSRCKDR
SCHEMBL8514666 0.81 JAK3 (0.43) WEE1PLK1LCKSRCKDR

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 1/4885PLK1 636/4885LCK 540/4885

“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.