SCHEMBL215812

SCHEMBL215812

CN(C)CCN1CCOc2cc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3nccs3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 6/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
INSR P06213 3/20 0.34
MET P08581 3/20 0.34
EGFR P00533 7/20 0.34
PIK3CD O00329 1/20 0.33
CSF1R P07333 1/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
TNK2 Q07912 1/20 0.33
SCN9A Q15858 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
SCHEMBL188629 0.90 WEE1 (0.40) WEE1NOS3NOS1NOS2INSR
SCHEMBL8511949 0.89 NOS3 (0.38) WEE1NOS3NOS1INSRMET
SCHEMBL8514337 0.84 WEE1 (0.38) WEE1INSRMETEGFRTNK2
SCHEMBL8510013 0.80 WEE1 (0.38) WEE1EGFRTNK2
SCHEMBL8511945 0.79 SRC (0.48) WEE1METEGFRCSF1RCDK4
SCHEMBL8513938 0.79 WEE1 (0.48) WEE1EGFRTNK2
SCHEMBL8509293 0.79 WEE1 (0.40) WEE1EGFRCSF1R
SCHEMBL213088 0.79 SRC (0.49) WEE1METEGFRCSF1RCDK4
SCHEMBL8511920 0.79 SRC (0.42) WEE1EGFRCDK4CDK6TNK2
SCHEMBL8511197 0.79 WEE1 (0.46) WEE1METTNK2

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 WEE1 1/4885NOS3 788/4885NOS1 1085/4885

“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.