SCHEMBL216531

SCHEMBL216531

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4CCO)ccc1N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.48
TTK P33981 1/20 0.48
SLC2A1 P11166 1/20 0.48
EGFR P00533 5/20 0.47
BTK Q06187 2/20 0.47
LCK P06239 1/20 0.47
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47
MAPK14 Q16539 1/20 0.47
WEE1 P30291 4/20 0.47
FLT3 P36888 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
SCHEMBL214827 0.95 TNK2 (0.47) TNK2TTKSLC2A1EGFRBTK
SCHEMBL8510005 0.94 TNK2 (0.48) TNK2TTKSLC2A1EGFRLCK
SCHEMBL8510826 0.93 TNK2 (0.49) TNK2TTKSLC2A1EGFRLCK
SCHEMBL8510333 0.91 TNK2 (0.49) TNK2TTKSLC2A1EGFRLCK
SCHEMBL8510306 0.90 WEE1 (0.57) TNK2SLC2A1EGFRBTKWEE1
SCHEMBL8510401 0.90 TNK2 (0.51) TNK2TTKSLC2A1EGFRBTK
SCHEMBL218103 0.88 TNK2 (0.46) TNK2TTKSLC2A1LCKSRC
SCHEMBL8514280 0.88 EGFR (0.49) TNK2TTKSLC2A1EGFRBTK
SCHEMBL214788 0.87 TNK2 (0.45) TNK2TTKSLC2A1LCKSRC
SCHEMBL9609441 0.87 TTK (0.52) TNK2TTKEGFR

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 8 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
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 TNK2 170/4885TTK 27/4885SLC2A1 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.