SCHEMBL188193

SCHEMBL188193

CN(C)Cc1ccc(Nc2ncc3c(=O)n4c(nc3n2)c2ccccc2n4-c2ncccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.41
WEE1 P30291 6/20 0.39
KCNH2 Q12809 1/20 0.39
CSF1R P07333 1/20 0.38
KDR P35968 4/20 0.36
LCK P06239 2/20 0.36
SRC P12931 2/20 0.36
CDK1 P06493 2/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
BPTF Q12830 1/20 0.35
EGFR P00533 1/20 0.35
ITK Q08881 1/20 0.35
IGF1R P08069 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL215535 0.91 WEE1 (0.49) WEE1KCNH2CSF1RKDRLCK
SCHEMBL8509293 0.88 WEE1 (0.40) CAMK2DWEE1KCNH2CSF1RKDR
SCHEMBL8513235 0.82 WEE1 (0.42) WEE1KDRLCKSRCCCNA2
SCHEMBL8514407 0.82 WEE1 (0.53) WEE1CSF1RKDRLCKSRC
SCHEMBL8509847 0.81 EGFR (0.54) WEE1EGFR
SCHEMBL188185 0.81 SRC (0.43) WEE1KDRLCKSRCEGFR
SCHEMBL216994 0.81 WEE1 (0.48) WEE1
SCHEMBL214554 0.81 WEE1 (0.53) WEE1KCNH2KDRLCKSRC
SCHEMBL8514433 0.80 WEE1 (0.53) WEE1KCNH2CSF1RKDR
SCHEMBL188054 0.80 JAK2 (0.43) WEE1EGFRIGF1R

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 12 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
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO 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 CAMK2D 481/4885WEE1 1/4885KCNH2 2636/4885

“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.