SCHEMBL216503

SCHEMBL216503

COC(=O)c1ccc2c(c1)n(-c1ccccn1)n1c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc3nc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.43
BTK Q06187 2/20 0.43
SLC2A1 P11166 1/20 0.43
TNK2 Q07912 4/20 0.43
WEE1 P30291 5/20 0.43
PLK1 P53350 1/20 0.43
TTK P33981 1/20 0.42
SRC P12931 2/20 0.42
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
PAK1 Q13153 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
SCHEMBL217545 0.95 SLC2A1 (0.43) EGFRBTKSLC2A1TNK2WEE1
SCHEMBL215168 0.93 SLC2A1 (0.44) EGFRBTKSLC2A1TNK2WEE1
SCHEMBL215175 0.92 EGFR (0.43) EGFRBTKSLC2A1TNK2WEE1
SCHEMBL214495 0.91 WEE1 (0.53) SLC2A1WEE1PLK1SRCLCK
SCHEMBL215533 0.89 TNK2 (0.48) EGFRBTKSLC2A1TNK2WEE1
SCHEMBL217266 0.88 SLC2A1 (0.46) EGFRBTKSLC2A1TNK2WEE1
SCHEMBL220728 0.88 SLC2A1 (0.44) EGFRBTKSLC2A1TNK2WEE1
SCHEMBL217131 0.87 WEE1 (0.45) EGFRSLC2A1TNK2WEE1PLK1
SCHEMBL8512868 0.86 SLC2A1 (0.43) EGFRBTKSLC2A1TNK2WEE1
SCHEMBL216617 0.85 WEE1 (0.53) SLC2A1WEE1PLK1SRCLCK

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 EGFR 425/4885BTK 408/4885SLC2A1 3951/4885

“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.