SCHEMBL8514337

SCHEMBL8514337

CN(C)CCN1C(=O)Cc2cc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3nccs3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 4/20 0.38
EGFR P00533 8/20 0.35
INSR P06213 5/20 0.34
ALK Q9UM73 2/20 0.34
MET P08581 5/20 0.34
TNK2 Q07912 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32

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
SCHEMBL8511949 0.89 NOS3 (0.38) WEE1EGFRINSRALKMET
SCHEMBL188629 0.89 WEE1 (0.40) WEE1EGFRINSRALKMET
SCHEMBL215812 0.84 WEE1 (0.37) WEE1EGFRINSRMETTNK2
SCHEMBL8513938 0.82 WEE1 (0.48) WEE1EGFRTNK2
SCHEMBL8511197 0.82 WEE1 (0.46) WEE1ALKMETTNK2
SCHEMBL8511945 0.81 SRC (0.48) WEE1EGFRALKMETTNK2
SCHEMBL8509293 0.81 WEE1 (0.40) WEE1EGFR
SCHEMBL213397 0.80 WEE1 (0.49) WEE1TNK2
SCHEMBL213088 0.80 SRC (0.49) WEE1EGFRALKMETTNK2
SCHEMBL8511920 0.80 SRC (0.42) WEE1EGFRTNK2PTK2

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 1/4885EGFR 425/4885INSR 953/4885

“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.