SCHEMBL8513281

SCHEMBL8513281

C[C@H]1CN(C)CCN1c1ccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2ncccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.43
WEE1 P30291 14/20 0.42
LCK P06239 5/20 0.39
SRC P12931 5/20 0.39
KDR P35968 3/20 0.39
PLK1 P53350 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
MAPK10 P53779 1/20 0.38
TEK Q02763 1/20 0.38
BTK Q06187 1/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8514666 1.00 JAK3 (0.43) JAK3WEE1LCKSRCKDR
SCHEMBL214554 0.87 WEE1 (0.53) JAK3WEE1LCKSRCKDR
SCHEMBL8510633 0.86 ADRA2A (0.46) JAK3WEE1LCKSRCKDR
SCHEMBL8512238 0.86 ADRA2A (0.46) JAK3WEE1LCKSRCKDR
SCHEMBL8513220 0.84 CAMK2D (0.43) WEE1LCKSRCKDRKCNH2
SCHEMBL8514433 0.83 WEE1 (0.53) WEE1KDRPLK1KITKCNH2
SCHEMBL8513235 0.82 WEE1 (0.42) WEE1LCKSRCKDRPLK1
SCHEMBL8513269 0.81 WEE1 (0.44) JAK3WEE1LCKSRCKDR
SCHEMBL8513478 0.81 WEE1 (0.44) JAK3WEE1LCKSRCKDR
SCHEMBL188583 0.81 WEE1 (0.46) JAK3WEE1LCKSRCKDR

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 JAK3 121/4885WEE1 1/4885LCK 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.