SCHEMBL9610753

SCHEMBL9610753

Cc1ccc2c(c1)n(-c1ccccn1)n1c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 13/20 0.55
▸ PLK1 P53350 4/20 0.55
▸ LCK P06239 4/20 0.51
▸ SRC P12931 4/20 0.51
▸ FLT3 P36888 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TNK2 Q07912 1/20 0.47
▸ NUAK1 O60285 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ MARK3 P27448 1/20 0.47
▸ CCND2 P30279 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ MARK2 Q7KZI7 1/20 0.47
▸ MARK4 Q96L34 1/20 0.47
▸ NUAK2 Q9H093 1/20 0.47
▸ MARK1 Q9P0L2 1/20 0.47
▸ KDR P35968 2/20 0.46
▸ LYN P07948 1/20 0.46
▸ KIT P10721 1/20 0.46

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
SCHEMBL8509592 0.93 WEE1 (0.55) WEE1PLK1FLT3CYP3A4
SCHEMBL9609452 0.92 WEE1 (0.54) WEE1PLK1LCKSRCFLT3
SCHEMBL215852 0.92 WEE1 (0.56) WEE1PLK1LCKSRCFLT3
SCHEMBL217029 0.92 WEE1 (0.58) WEE1PLK1LCKSRCFLT3
SCHEMBL8510187 0.91 LCK (0.53) WEE1PLK1LCKSRCFLT3
SCHEMBL215881 0.90 WEE1 (0.54) WEE1PLK1FLT3
SCHEMBL9609444 0.90 WEE1 (0.52) WEE1PLK1LCKSRCFLT3
SCHEMBL8510560 0.90 WEE1 (0.53) WEE1PLK1LCKSRCFLT3
SCHEMBL214495 0.89 WEE1 (0.53) WEE1PLK1LCKSRCFLT3
SCHEMBL9609451 0.89 WEE1 (0.51) WEE1PLK1LCKSRCFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885PLK1 636/4885LCK 540/4885

“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.

Send feedback