SCHEMBL214554

SCHEMBL214554

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 12/20 0.53
LCK P06239 5/20 0.51
SRC P12931 5/20 0.51
KDR P35968 3/20 0.51
PLK1 P53350 2/20 0.50
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
BTK Q06187 1/20 0.49
CYP3A4 P08684 1/20 0.49
KCNH2 Q12809 1/20 0.49
CCND3 P30281 2/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49

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
SCHEMBL217029 0.92 WEE1 (0.58) WEE1LCKSRCKDRPLK1
SCHEMBL8514564 0.91 WEE1 (0.51) WEE1LCKSRCKDRPLK1
SCHEMBL8510633 0.89 ADRA2A (0.46) WEE1LCKSRCKDRPLK1
SCHEMBL8512238 0.89 ADRA2A (0.46) WEE1LCKSRCKDRPLK1
SCHEMBL8513247 0.89 LCK (0.54) WEE1LCKSRCKDRPLK1
SCHEMBL8514111 0.89 WEE1 (0.52) WEE1LCKSRCKDRPLK1
SCHEMBL215998 0.89 WEE1 (0.55) WEE1LCKSRCKDRPLK1
SCHEMBL187898 0.88 TNK2 (0.48) WEE1LCKSRCKDRJAK3
SCHEMBL8514433 0.87 WEE1 (0.53) WEE1KDRPLK1KITKCNH2
SCHEMBL8514666 0.87 JAK3 (0.43) WEE1LCKSRCKDRPLK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US claimed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US claimed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP claimed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO claimed
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

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.