SCHEMBL8513792

SCHEMBL8513792

CCn1c2ccccc2c2nc3nc(Nc4ccc5c(c4)CN(C)CC5)ncc3c(=O)n21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 16/20 0.50
PLK1 P53350 2/20 0.50
BTK Q06187 1/20 0.47
TNK2 Q07912 2/20 0.46
AXL P30530 1/20 0.45

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
SCHEMBL8513926 0.98 WEE1 (0.48) WEE1PLK1BTKTNK2AXL
SCHEMBL217692 0.90 WEE1 (0.51) WEE1PLK1BTKTNK2AXL
SCHEMBL8513410 0.89 WEE1 (0.47) WEE1PLK1BTKTNK2
SCHEMBL189352 0.86 WEE1 (0.52) WEE1PLK1BTKTNK2AXL
SCHEMBL218477 0.85 WEE1 (0.46) WEE1PLK1BTKTNK2AXL
SCHEMBL214278 0.85 WEE1 (0.51) WEE1PLK1BTKTNK2AXL
SCHEMBL214363 0.84 WEE1 (0.50) WEE1PLK1BTKTNK2AXL
SCHEMBL8510826 0.84 TNK2 (0.49) WEE1TNK2
SCHEMBL213487 0.84 WEE1 (0.43) WEE1PLK1BTKTNK2AXL
SCHEMBL213397 0.83 WEE1 (0.49) WEE1PLK1BTKTNK2AXL

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 1/4885PLK1 636/4885BTK 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.