SCHEMBL215533

SCHEMBL215533

Cc1cc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2ccccn2)ccc1N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.48
WEE1 P30291 6/20 0.47
PLK1 P53350 1/20 0.46
SLC2A1 P11166 1/20 0.45
FLT3 P36888 1/20 0.45
LCK P06239 1/20 0.45
SRC P12931 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
EGFR P00533 3/20 0.44
TTK P33981 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL8513062 0.93 TNK2 (0.48) TNK2WEE1SLC2A1FLT3LCK
SCHEMBL8514192 0.93 JAK2 (0.49) TNK2WEE1SLC2A1FLT3LCK
SCHEMBL187898 0.92 TNK2 (0.48) TNK2WEE1SLC2A1FLT3LCK
SCHEMBL8509340 0.92 WEE1 (0.50) TNK2WEE1PLK1SLC2A1FLT3
SCHEMBL8511325 0.92 TNK2 (0.48) TNK2WEE1SLC2A1FLT3LCK
SCHEMBL8509288 0.91 TNK2 (0.48) TNK2WEE1PLK1JAK3EGFR
SCHEMBL8512662 0.91 EGFR (0.45) TNK2WEE1EGFRTTK
SCHEMBL8514669 0.91 EGFR (0.47) TNK2WEE1PLK1SLC2A1FLT3
SCHEMBL8512205 0.90 WEE1 (0.52) TNK2WEE1PLK1LCKSRC
SCHEMBL8512236 0.90 LCK (0.53) TNK2WEE1FLT3LCKSRC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US claimed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US claimed
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 170/4885WEE1 1/4885PLK1 636/4885

“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.