SCHEMBL217131

SCHEMBL217131

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccc(OCCO)cc2n4-c2ccccn2)ccc1N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 6/20 0.45
PLK1 P53350 1/20 0.43
TNK2 Q07912 7/20 0.43
EGFR P00533 4/20 0.41
TTK P33981 1/20 0.41
SLC2A1 P11166 1/20 0.41
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL215533 0.88 TNK2 (0.48) WEE1PLK1TNK2EGFRTTK
SCHEMBL215920 0.87 TNK2 (0.47) TNK2
SCHEMBL216503 0.87 EGFR (0.43) WEE1PLK1TNK2EGFRTTK
SCHEMBL215168 0.87 SLC2A1 (0.44) WEE1PLK1TNK2EGFRTTK
SCHEMBL8512552 0.86 WEE1 (0.53) WEE1PLK1TNK2LCKSRC
SCHEMBL8509288 0.85 TNK2 (0.48) WEE1PLK1TNK2EGFRTTK
SCHEMBL215175 0.85 EGFR (0.43) WEE1PLK1TNK2EGFRTTK
SCHEMBL9609444 0.83 WEE1 (0.52) WEE1PLK1LCKSRCKDR
SCHEMBL8512205 0.83 WEE1 (0.52) WEE1PLK1TNK2LCKSRC
SCHEMBL9610722 0.83 WEE1 (0.49) 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 8 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

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 636/4885TNK2 170/4885

“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.