SCHEMBL8510013

SCHEMBL8510013

CN(C)CCC(O)c1ccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2nccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.38
KDR P35968 4/20 0.35
LCK P06239 2/20 0.35
SRC P12931 2/20 0.35
KCNH2 Q12809 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
EGFR P00533 5/20 0.32
TNK2 Q07912 3/20 0.32
CDK1 P06493 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL8511945 0.87 SRC (0.48) WEE1KDRLCKSRCEGFR
SCHEMBL8509293 0.86 WEE1 (0.40) WEE1KDRLCKSRCKCNH2
SCHEMBL213088 0.86 SRC (0.49) WEE1KDRLCKSRCEGFR
SCHEMBL8512741 0.84 CDK4 (0.49) KDRLCKTNK2CDK1CDK9
SCHEMBL8514074 0.83 WEE1 (0.43) WEE1KDRLCKSRCKCNH2
SCHEMBL9609437 0.83 WEE1 (0.37) WEE1KDRLCKSRCCDK1
SCHEMBL8513950 0.83 CDK4 (0.40) WEE1KDRLCKSRCCDK1
SCHEMBL9609438 0.83 SRC (0.41) WEE1KDRLCKSRCEGFR
SCHEMBL8510487 0.82 WEE1 (0.38) WEE1KDRLCKSRCFGFR1
SCHEMBL8511920 0.81 SRC (0.42) WEE1KDRLCKSRCEGFR

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 1/4885KDR 817/4885LCK 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.