SCHEMBL8511335

SCHEMBL8511335

CN1CCCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3nccs3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 12/20 0.52
▸ CCND3 P30281 2/20 0.47
▸ CCNK O75909 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ LCK P06239 5/20 0.46
▸ SRC P12931 5/20 0.46
▸ KDR P35968 3/20 0.46
▸ LYN P07948 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ ZAP70 P43403 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ TEK Q02763 1/20 0.45
▸ BTK Q06187 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
SCHEMBL215998 0.97 WEE1 (0.55) WEE1CCND3LCKSRCKDR
SCHEMBL8510357 0.90 WEE1 (0.48) WEE1CCND3LCKSRCKDR
SCHEMBL8513151 0.88 WEE1 (0.49) WEE1CCND3LCKSRCKDR
SCHEMBL8510181 0.88 WEE1 (0.46) WEE1LCKSRCKDRLYN
SCHEMBL9609440 0.86 WEE1 (0.43) WEE1SRCKITBTKPLK1
SCHEMBL214554 0.86 WEE1 (0.53) WEE1CCND3CCNKCCNA2CDK2
SCHEMBL8509945 0.85 WEE1 (0.45) WEE1CDK2CDK6LCKSRC
SCHEMBL8513227 0.85 WEE1 (0.47) WEE1LCKSRCKDRLYN
SCHEMBL213397 0.85 WEE1 (0.49) WEE1BTKPLK1
SCHEMBL8511197 0.85 WEE1 (0.46) WEE1BTKPLK1ALK

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 1/4885CCND3 257/4885CCNK 4/4885

“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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