SCHEMBL8510487

SCHEMBL8510487

CC(COc1ccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2nccs2)cc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 5/20 0.38
SRC P12931 4/20 0.36
LCK P06239 3/20 0.36
KDR P35968 2/20 0.36
CDK4 P11802 10/20 0.36
CDK2 P24941 9/20 0.36
FGFR1 P11362 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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) WEE1SRCLCKKDRCDK4
SCHEMBL8512741 0.90 CDK4 (0.49) LCKKDRCDK4CDK2FGFR1
SCHEMBL9609438 0.88 SRC (0.41) WEE1SRCLCKKDRCDK4
SCHEMBL8511945 0.88 SRC (0.48) WEE1SRCLCKKDRCDK4
SCHEMBL9609437 0.88 WEE1 (0.37) WEE1SRCLCKKDRCDK4
SCHEMBL213088 0.87 SRC (0.49) WEE1SRCLCKKDRCDK4
SCHEMBL8509293 0.85 WEE1 (0.40) WEE1SRCLCKKDRCDK2
SCHEMBL8513087 0.84 JAK2 (0.40) WEE1SRCLCKKDRCDK4
SCHEMBL8510013 0.82 WEE1 (0.38) WEE1SRCLCKKDRFGFR1
SCHEMBL8513897 0.81 CAMK2D (0.44) WEE1SRCLCKKDRCDK2

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 1/4885SRC 546/4885LCK 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.