SCHEMBL8512924

SCHEMBL8512924

COCC(=O)N1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ccccn3)cc2CO)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 12/20 0.43
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PLK1 P53350 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
JAK3 P52333 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8510529 0.94 WEE1 (0.39) WEE1HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL9609429 0.93 EGFR (0.41) WEE1JAK3
SCHEMBL8513049 0.93 WEE1 (0.41) WEE1HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL8511844 0.90 WEE1 (0.47) WEE1PLK1JAK3JAK2JAK1
SCHEMBL8512205 0.90 WEE1 (0.52) WEE1PLK1
SCHEMBL8514669 0.84 EGFR (0.47) WEE1PLK1SYK
SCHEMBL8508710 0.83 WEE1 (0.50) WEE1
SCHEMBL8512653 0.83 WEE1 (0.48) WEE1PLK1SYK
SCHEMBL8512236 0.81 LCK (0.53) WEE1
SCHEMBL8509288 0.81 TNK2 (0.48) WEE1PLK1JAK3

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 1/4885HSD17B10 2440/4885ALDH1A1 1119/4885

“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.