SCHEMBL8513938

SCHEMBL8513938

CN1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3nccs3)cc2CO)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 12/20 0.48
FLT3 P36888 1/20 0.40
BTK Q06187 1/20 0.40
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
PAK1 Q13153 2/20 0.39
SLC2A1 P11166 2/20 0.39
KCNH2 Q12809 1/20 0.39
TNK2 Q07912 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL8508710 0.90 WEE1 (0.50) WEE1FLT3BTKLCKSRC
SCHEMBL8512205 0.89 WEE1 (0.52) WEE1LCKSRCKDRMAPK14
SCHEMBL8510422 0.87 WEE1 (0.51) WEE1FLT3BTKLCKSRC
SCHEMBL215998 0.87 WEE1 (0.55) WEE1BTKLCKSRCKDR
SCHEMBL8511197 0.85 WEE1 (0.46) WEE1BTKTNK2
SCHEMBL213397 0.84 WEE1 (0.49) WEE1BTKTNK2
SCHEMBL8511335 0.84 WEE1 (0.52) WEE1BTKLCKSRCKDR
SCHEMBL8510172 0.84 TNK2 (0.41) BTKSLC2A1KCNH2TNK2EGFR
SCHEMBL215264 0.83 WEE1 (0.47) WEE1BTKTNK2
SCHEMBL8513151 0.83 WEE1 (0.49) WEE1LCKSRCKDR

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 WEE1 1/4885FLT3 596/4885BTK 408/4885

“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.