SCHEMBL8509945

SCHEMBL8509945

CN(C)CC(=O)N1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3nccs3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 7/20 0.45
▸ CDK2 P24941 2/20 0.44
▸ CDK4 P11802 2/20 0.42
▸ CSF1R P07333 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ FLT3 P36888 4/20 0.42
▸ CDK1 P06493 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 2/20 0.41
▸ MNAT1 P51948 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ SYK P43405 2/20 0.39
▸ LCK P06239 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ PLK1 P53350 1/20 0.38

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 0.88 WEE1 (0.55) WEE1CDK4SYKLCKSRC
SCHEMBL8513151 0.85 WEE1 (0.49) WEE1CDK4SYKLCKSRC
SCHEMBL8511335 0.85 WEE1 (0.52) WEE1CDK2CDK4CDK6SYK
SCHEMBL8510357 0.84 WEE1 (0.48) WEE1CDK4SYKLCKSRC
SCHEMBL8509842 0.83 WEE1 (0.43) WEE1CDK2CSF1RFLT3CDK1
SCHEMBL8509293 0.83 WEE1 (0.40) WEE1CDK2CSF1RCDK1LCK
SCHEMBL8513227 0.82 WEE1 (0.47) WEE1SYKLCKSRCKDR
SCHEMBL8510181 0.82 WEE1 (0.46) WEE1SYKLCKSRCKDR
SCHEMBL8510013 0.80 WEE1 (0.38) WEE1CDK1LCKSRCKDR
SCHEMBL8511945 0.80 SRC (0.48) WEE1CDK4CSF1RFLT3SYK

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 1/4885CDK2 17/4885CDK4 52/4885

“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.

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