SCHEMBL8510491

SCHEMBL8510491

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2cccc(NO)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 7/20 0.48
TNK2 Q07912 3/20 0.46
EGFR P00533 5/20 0.45
TTK P33981 1/20 0.45
PLK1 P53350 1/20 0.45
SLC2A1 P11166 1/20 0.45
BTK Q06187 2/20 0.44
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
FLT3 P36888 1/20 0.43

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
SCHEMBL8509340 0.92 WEE1 (0.50) WEE1TNK2EGFRTTKPLK1
SCHEMBL215533 0.90 TNK2 (0.48) WEE1TNK2EGFRTTKPLK1
SCHEMBL8512076 0.89 LCK (0.48) WEE1TNK2EGFRPLK1LCK
SCHEMBL9609430 0.89 WEE1 (0.47) WEE1TNK2EGFRTTKPLK1
SCHEMBL8510648 0.88 WEE1 (0.47) WEE1TNK2EGFRTTKPLK1
SCHEMBL8510681 0.88 WEE1 (0.47) WEE1TNK2EGFRTTKPLK1
SCHEMBL8513062 0.88 TNK2 (0.48) WEE1TNK2EGFRTTKSLC2A1
SCHEMBL8511325 0.88 TNK2 (0.48) WEE1TNK2SLC2A1LCKSRC
SCHEMBL8514192 0.87 JAK2 (0.49) WEE1TNK2EGFRTTKSLC2A1
SCHEMBL187898 0.87 TNK2 (0.48) WEE1TNK2EGFRTTKSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885TNK2 170/4885EGFR 425/4885

“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.