SCHEMBL8513151

SCHEMBL8513151

O=c1c2cnc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc2nc2c3ccccc3n(-c3nccs3)n12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 14/20 0.49
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
FGFR1 P11362 1/20 0.43
PLK1 P53350 4/20 0.41
SYK P43405 2/20 0.41
LCK P06239 2/20 0.40
SRC P12931 2/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL215998 0.91 WEE1 (0.55) WEE1CDK4CCND1CCND2CCND3
SCHEMBL8511335 0.88 WEE1 (0.52) WEE1CDK4CCND1CCND2CCND3
SCHEMBL8510357 0.87 WEE1 (0.48) WEE1CDK4CCND1CCND2CCND3
SCHEMBL8513227 0.87 WEE1 (0.47) WEE1PLK1SYKLCKSRC
SCHEMBL8509945 0.85 WEE1 (0.45) WEE1CDK4PLK1SYKLCK
SCHEMBL8510181 0.85 WEE1 (0.46) WEE1PLK1SYKLCKSRC
SCHEMBL8509718 0.84 WEE1 (0.49) WEE1CDK4PLK1
SCHEMBL8510788 0.83 WEE1 (0.46) WEE1PLK1SYKLCKSRC
SCHEMBL8512836 0.83 WEE1 (0.46) WEE1PLK1SYKLCKSRC
SCHEMBL8513938 0.83 WEE1 (0.48) 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 1/4885CDK4 52/4885CCND1 230/4885

“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.