SCHEMBL8512741

SCHEMBL8512741

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.49
CDK2 P24941 18/20 0.49
CCNE1 P24864 2/20 0.44
CDK1 P06493 1/20 0.44
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
IGF1R P08069 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKACA P17612 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 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
SCHEMBL8513950 0.93 CDK4 (0.40) CDK4CDK2CCNE1CDK1LCK
SCHEMBL8510487 0.90 WEE1 (0.38) CDK4CDK2LCKFGFR1KDR
SCHEMBL9609437 0.89 WEE1 (0.37) CDK4CDK2CCNE1CDK1LCK
SCHEMBL8511945 0.88 SRC (0.48) CDK4JAK2PRKD3MAP4K4PAK4
SCHEMBL213088 0.88 SRC (0.49) CDK4JAK2PRKD3MAP4K4PAK4
SCHEMBL9609438 0.86 SRC (0.41) CDK4JAK2PRKD3MAP4K4PAK4
SCHEMBL8509293 0.85 WEE1 (0.40) CDK2CDK1LCKCSF1RIGF1R
SCHEMBL8513087 0.84 JAK2 (0.40) CDK4JAK2LCKKDR
SCHEMBL8510013 0.84 WEE1 (0.38) CDK1LCKFGFR1KDRCDK9
SCHEMBL9609439 0.80 SRC (0.43) LCKFGFR1KDRTNK2CLK4

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 CDK4 52/4885CDK2 17/4885CCNE1 6/4885

“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.