SCHEMBL8514280

SCHEMBL8514280

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4C(C)C)ccc1N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.49
BTK Q06187 2/20 0.49
TNK2 Q07912 11/20 0.48
SLC2A1 P11166 1/20 0.47
FLT3 P36888 1/20 0.46
LCK P06239 1/20 0.46
SRC P12931 1/20 0.46
KDR P35968 1/20 0.46
MAPK14 Q16539 1/20 0.46
TTK P33981 1/20 0.45
WEE1 P30291 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL8510401 0.90 TNK2 (0.51) EGFRBTKTNK2SLC2A1FLT3
SCHEMBL216531 0.88 TNK2 (0.48) EGFRBTKTNK2SLC2A1FLT3
SCHEMBL9609441 0.87 TTK (0.52) EGFRTNK2TTK
SCHEMBL8510826 0.87 TNK2 (0.49) EGFRTNK2SLC2A1FLT3LCK
SCHEMBL8510005 0.87 TNK2 (0.48) EGFRTNK2SLC2A1FLT3LCK
SCHEMBL187898 0.87 TNK2 (0.48) EGFRBTKTNK2SLC2A1FLT3
SCHEMBL8511912 0.85 TNK2 (0.46) EGFRBTKTNK2SLC2A1FLT3
SCHEMBL215533 0.85 TNK2 (0.48) EGFRBTKTNK2SLC2A1FLT3
SCHEMBL214827 0.85 TNK2 (0.47) EGFRBTKTNK2SLC2A1FLT3
SCHEMBL8513556 0.85 TNK2 (0.46) EGFRBTKTNK2SLC2A1FLT3

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 EGFR 425/4885BTK 408/4885TNK2 170/4885

“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.