SCHEMBL217545

SCHEMBL217545

COC(=O)c1ccc2c(c1)c1nc3nc(Nc4ccc(N5CCN(C)CC5)c(C)c4)ncc3c(=O)n1n2-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
TNK2 Q07912 4/20 0.43
WEE1 P30291 5/20 0.43
PLK1 P53350 1/20 0.43
EGFR P00533 7/20 0.42
TTK P33981 1/20 0.42
BTK Q06187 2/20 0.42
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
PAK1 Q13153 1/20 0.41
CSF1R P07333 1/20 0.40

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
SCHEMBL216503 0.95 EGFR (0.43) SLC2A1TNK2WEE1PLK1EGFR
SCHEMBL220728 0.93 SLC2A1 (0.44) SLC2A1TNK2WEE1PLK1EGFR
SCHEMBL8512868 0.92 SLC2A1 (0.43) SLC2A1TNK2WEE1PLK1EGFR
SCHEMBL216617 0.91 WEE1 (0.53) SLC2A1WEE1PLK1LCKSRC
SCHEMBL215533 0.89 TNK2 (0.48) SLC2A1TNK2WEE1PLK1EGFR
SCHEMBL217266 0.88 SLC2A1 (0.46) SLC2A1TNK2WEE1PLK1EGFR
SCHEMBL215168 0.88 SLC2A1 (0.44) SLC2A1TNK2WEE1PLK1EGFR
SCHEMBL215175 0.86 EGFR (0.43) SLC2A1TNK2WEE1PLK1EGFR
SCHEMBL214495 0.85 WEE1 (0.53) SLC2A1WEE1PLK1LCKSRC
SCHEMBL215704 0.84 SLC2A1 (0.47) SLC2A1TNK2WEE1PLK1EGFR

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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO 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 SLC2A1 3951/4885TNK2 170/4885WEE1 1/4885

“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.