SCHEMBL8511325

SCHEMBL8511325

Cc1ccc(-n2c3ccccc3c3nc4nc(Nc5ccc(N6CCN(C)CC6)c(C)c5)ncc4c(=O)n32)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.48
WEE1 P30291 4/20 0.45
SLC2A1 P11166 1/20 0.44
LCK P06239 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44
FLT3 P36888 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
SCHEMBL215533 0.92 TNK2 (0.48) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8514192 0.90 JAK2 (0.49) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8509340 0.90 WEE1 (0.50) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8513062 0.90 TNK2 (0.48) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8513428 0.89 SLC2A1 (0.44) TNK2WEE1SLC2A1LCKSRC
SCHEMBL187898 0.89 TNK2 (0.48) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8510491 0.88 WEE1 (0.48) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8510401 0.88 TNK2 (0.51) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8513556 0.87 TNK2 (0.46) TNK2WEE1SLC2A1LCKSRC
SCHEMBL8511912 0.87 TNK2 (0.46) TNK2WEE1SLC2A1LCKSRC

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 TNK2 170/4885WEE1 1/4885SLC2A1 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.