SCHEMBL8512834

SCHEMBL8512834

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5CC(F)F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 10/20 0.57
LCK P06239 7/20 0.51
SRC P12931 7/20 0.51
KDR P35968 4/20 0.49
BTK Q06187 2/20 0.49
LYN P07948 1/20 0.49
KIT P10721 1/20 0.49
BRAF P15056 1/20 0.49
TYK2 P29597 1/20 0.49
ZAP70 P43403 1/20 0.49
SYK P43405 1/20 0.49
JAK3 P52333 1/20 0.49
MAPK10 P53779 1/20 0.49
TEK Q02763 1/20 0.49
CYP3A4 P08684 1/20 0.49
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
CCND2 P30279 2/20 0.49
CCND3 P30281 2/20 0.49
FLT3 P36888 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
SCHEMBL8509752 0.88 WEE1 (0.56) WEE1LCKSRCKDRBTK
SCHEMBL8510500 0.87 WEE1 (0.55) WEE1LCKSRCKDRBTK
SCHEMBL8513247 0.86 LCK (0.54) WEE1LCKSRCKDRBTK
SCHEMBL8513059 0.83 WEE1 (0.52) WEE1LCKSRCKDRBTK
SCHEMBL214554 0.83 WEE1 (0.53) WEE1LCKSRCKDRBTK
SCHEMBL8511829 0.82 LCK (0.49) WEE1LCKSRCKDRBTK
SCHEMBL217029 0.81 WEE1 (0.58) WEE1LCKSRCKDRBTK
SCHEMBL9609431 0.81 WEE1 (0.49) WEE1LCKSRCKDRBTK
SCHEMBL216411 0.80 SRC (0.48) WEE1LCKSRCKDRBTK
SCHEMBL8514111 0.80 WEE1 (0.52) WEE1LCKSRCKDRBTK

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 1/4885LCK 540/4885SRC 546/4885

“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.