SCHEMBL8512470

SCHEMBL8512470

CN(C)[C@@H]1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
BRD4 O60885 2/20 0.43
FGFR4 P22455 1/20 0.43
CDK4 P11802 6/20 0.43
CDK6 Q00534 5/20 0.43
WEE1 P30291 6/20 0.42
PLK1 P53350 1/20 0.41
AXL P30530 1/20 0.41
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
ALK Q9UM73 1/20 0.39
MCHR1 Q99705 1/20 0.39
ZAP70 P43403 1/20 0.39

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
SCHEMBL188054 1.00 JAK2 (0.43) JAK2BRD4FGFR4CDK4CDK6
SCHEMBL8513235 0.94 WEE1 (0.42) CDK4CDK6WEE1PLK1
SCHEMBL8513021 0.89 PIK3CD (0.44) JAK2BRD4CDK4CDK6WEE1
SCHEMBL8510633 0.85 ADRA2A (0.46) WEE1PLK1
SCHEMBL8512238 0.85 ADRA2A (0.46) WEE1PLK1
SCHEMBL214554 0.85 WEE1 (0.53) CDK4CDK6WEE1PLK1ALK
SCHEMBL9609434 0.84 WEE1 (0.41) CDK4WEE1PLK1EGFRZAP70
SCHEMBL8513269 0.84 WEE1 (0.44) WEE1PLK1ZAP70
SCHEMBL8513478 0.84 WEE1 (0.44) WEE1PLK1ZAP70
SCHEMBL8514564 0.83 WEE1 (0.51) FGFR4CDK4WEE1PLK1EGFR

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 JAK2 137/4885BRD4 1149/4885FGFR4 1631/4885

“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.