SCHEMBL217266

SCHEMBL217266

COC(=O)c1cccc2c1c1nc3nc(Nc4ccc(N5CCN(C)CC5)c(C)c4)ncc3c(=O)n1n2-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
EGFR P00533 6/20 0.45
BTK Q06187 2/20 0.45
SRC P12931 2/20 0.45
LCK P06239 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
WEE1 P30291 5/20 0.44
PLK1 P53350 1/20 0.44
TNK2 Q07912 2/20 0.43
TTK P33981 1/20 0.42
PAK1 Q13153 1/20 0.42
PKMYT1 Q99640 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
KCNH2 Q12809 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
SCHEMBL215704 0.93 SLC2A1 (0.47) SLC2A1EGFRBTKSRCLCK
SCHEMBL217015 0.92 SLC2A1 (0.46) SLC2A1EGFRBTKSRCLCK
SCHEMBL216546 0.90 WEE1 (0.55) EGFRSRCLCKKDRWEE1
SCHEMBL216503 0.88 EGFR (0.43) SLC2A1EGFRBTKSRCLCK
SCHEMBL217545 0.88 SLC2A1 (0.43) SLC2A1EGFRBTKSRCLCK
SCHEMBL215533 0.88 TNK2 (0.48) SLC2A1EGFRBTKSRCLCK
SCHEMBL215168 0.84 SLC2A1 (0.44) SLC2A1EGFRBTKSRCWEE1
SCHEMBL220728 0.84 SLC2A1 (0.44) SLC2A1EGFRBTKWEE1PLK1
SCHEMBL8512868 0.84 SLC2A1 (0.43) SLC2A1EGFRBTKWEE1PLK1
SCHEMBL215175 0.84 EGFR (0.43) SLC2A1EGFRBTKSRCWEE1

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 3951/4885EGFR 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.