SCHEMBL9609437

SCHEMBL9609437

CC(CN(C)C)Oc1ccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2nccs2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 3/20 0.37
LCK P06239 3/20 0.36
SRC P12931 3/20 0.36
KDR P35968 2/20 0.36
CDK4 P11802 11/20 0.36
CDK2 P24941 10/20 0.36
FGFR1 P11362 2/20 0.33
GCK P35557 1/20 0.32
CDK1 P06493 1/20 0.32
CCNE1 P24864 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
SCHEMBL8513950 0.91 CDK4 (0.40) WEE1LCKSRCKDRCDK4
SCHEMBL8512741 0.89 CDK4 (0.49) LCKKDRCDK4CDK2FGFR1
SCHEMBL8510487 0.88 WEE1 (0.38) WEE1LCKSRCKDRCDK4
SCHEMBL8511945 0.87 SRC (0.48) WEE1LCKSRCKDRCDK4
SCHEMBL213088 0.87 SRC (0.49) WEE1LCKSRCKDRCDK4
SCHEMBL9609438 0.86 SRC (0.41) WEE1LCKSRCKDRCDK4
SCHEMBL8509293 0.86 WEE1 (0.40) WEE1LCKSRCKDRCDK2
SCHEMBL8510013 0.83 WEE1 (0.38) WEE1LCKSRCKDRFGFR1
SCHEMBL8513087 0.82 JAK2 (0.40) WEE1LCKSRCKDRCDK4
SCHEMBL9609439 0.81 SRC (0.43) LCKSRCKDRFGFR1

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 4 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-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 1/4885LCK 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.