SCHEMBL8512640

SCHEMBL8512640

O=c1c2cnc(Nc3ccc(CN4CCC(O)C4)cc3)nc2nc2c3ccccc3n(-c3ncccn3)n12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.39
CDK6 Q00534 3/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
WEE1 P30291 3/20 0.38
PLK1 P53350 1/20 0.38
SYK P43405 1/20 0.38
PTK2 Q05397 2/20 0.37
EGFR P00533 2/20 0.37
MAPK1 P28482 2/20 0.37
AXL P30530 1/20 0.37
PDE10A Q9Y233 1/20 0.36
FGFR1 P11362 1/20 0.36
STAT6 P42226 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35

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
SCHEMBL8514433 0.80 WEE1 (0.53) WEE1PLK1STAT6
SCHEMBL188054 0.77 JAK2 (0.43) CDK4CDK6JAK2WEE1PLK1
SCHEMBL214554 0.77 WEE1 (0.53) CDK4CDK6JAK3WEE1PLK1
SCHEMBL8513235 0.77 WEE1 (0.42) CDK4CDK6WEE1PLK1CCND1
SCHEMBL8512238 0.76 ADRA2A (0.46) JAK3WEE1PLK1
SCHEMBL8510633 0.76 ADRA2A (0.46) JAK3WEE1PLK1
SCHEMBL8510616 0.76 WEE1 (0.45) JAK2JAK3WEE1PLK1SYK
SCHEMBL8513501 0.76 WEE1 (0.40) JAK2JAK3WEE1PLK1PTK2
SCHEMBL188583 0.76 WEE1 (0.46) JAK3WEE1PLK1SYK
SCHEMBL216994 0.75 WEE1 (0.48) WEE1PLK1SYKAXL

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 52/4885CDK6 69/4885JAK2 137/4885

“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.