SCHEMBL8509718

SCHEMBL8509718

O=c1c2cnc(Nc3ccc4c(c3)CN(CCO)CC4)nc2nc2c3ccccc3n(-c3nccs3)n12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 13/20 0.49
▸ BTK Q06187 3/20 0.42
▸ ACVR1 Q04771 1/20 0.40
▸ FLT3 P36888 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ PLK1 P53350 2/20 0.39
▸ CDK4 P11802 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
SCHEMBL213397 0.90 WEE1 (0.49) WEE1BTKPLK1
SCHEMBL8511197 0.89 WEE1 (0.46) WEE1BTKPLK1
SCHEMBL215264 0.88 WEE1 (0.47) WEE1BTKPLK1
SCHEMBL9609440 0.85 WEE1 (0.43) WEE1BTKFLT3PLK1
SCHEMBL8513151 0.84 WEE1 (0.49) WEE1PLK1CDK4
SCHEMBL8513480 0.83 WEE1 (0.42) WEE1BTKPLK1
SCHEMBL8513938 0.82 WEE1 (0.48) WEE1BTKFLT3
SCHEMBL188629 0.82 WEE1 (0.40) WEE1FLT3JAK2
SCHEMBL215998 0.80 WEE1 (0.55) WEE1BTKPLK1CDK4
SCHEMBL189352 0.79 WEE1 (0.52) WEE1BTKPLK1

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 1/4885BTK 408/4885ACVR1 1178/4885

“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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