SCHEMBL8510306

SCHEMBL8510306

C=CCn1c2ccccc2c2nc3nc(Nc4ccc(N5CCN(C)CC5)c(C)c4)ncc3c(=O)n21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 13/20 0.57
EGFR P00533 2/20 0.47
BTK Q06187 2/20 0.47
TNK2 Q07912 3/20 0.47
JAK3 P52333 1/20 0.47
SLC2A1 P11166 1/20 0.46
PKMYT1 Q99640 1/20 0.46

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
SCHEMBL8510826 0.91 TNK2 (0.49) WEE1EGFRTNK2SLC2A1
SCHEMBL216531 0.90 TNK2 (0.48) WEE1EGFRBTKTNK2SLC2A1
SCHEMBL8510005 0.90 TNK2 (0.48) WEE1EGFRTNK2SLC2A1
SCHEMBL214827 0.89 TNK2 (0.47) WEE1EGFRBTKTNK2SLC2A1
SCHEMBL8510333 0.89 TNK2 (0.49) WEE1EGFRTNK2SLC2A1
SCHEMBL8510401 0.88 TNK2 (0.51) WEE1EGFRBTKTNK2JAK3
SCHEMBL218103 0.85 TNK2 (0.46) WEE1TNK2SLC2A1
SCHEMBL9609441 0.85 TTK (0.52) EGFRTNK2
SCHEMBL8514280 0.85 EGFR (0.49) WEE1EGFRBTKTNK2JAK3
SCHEMBL187898 0.84 TNK2 (0.48) WEE1EGFRBTKTNK2JAK3

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 1/4885EGFR 425/4885BTK 408/4885

“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.