SCHEMBL215535

SCHEMBL215535

CN(C)CCc1ccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2ncccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 3/20 0.49
KCNH2 Q12809 1/20 0.49
KDR P35968 11/20 0.46
CDK1 P06493 9/20 0.46
RET P07949 1/20 0.43
LCK P06239 3/20 0.39
CSF1R P07333 1/20 0.39
SRC P12931 2/20 0.39
JAK3 P52333 1/20 0.37
BPTF Q12830 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL188193 0.91 CAMK2D (0.41) WEE1KCNH2KDRCDK1LCK
SCHEMBL188185 0.83 SRC (0.43) WEE1KDRLCKSRC
SCHEMBL8509847 0.83 EGFR (0.54) WEE1
SCHEMBL8514407 0.82 WEE1 (0.53) WEE1KDRRETLCKCSF1R
SCHEMBL8513235 0.81 WEE1 (0.42) WEE1KDRLCKSRC
SCHEMBL216994 0.80 WEE1 (0.48) WEE1
SCHEMBL214554 0.80 WEE1 (0.53) WEE1KCNH2KDRLCKSRC
SCHEMBL8509293 0.79 WEE1 (0.40) WEE1KCNH2KDRCDK1LCK
SCHEMBL8514433 0.79 WEE1 (0.53) WEE1KCNH2KDRCSF1R
SCHEMBL8512640 0.79 CDK4 (0.39) WEE1JAK3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US claimed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US claimed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP claimed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO claimed
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 1/4885KCNH2 2636/4885KDR 817/4885

“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.