SCHEMBL8514669

SCHEMBL8514669

CC(=O)N1CCN(c2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ccccn3)cc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.47
WEE1 P30291 4/20 0.43
CSF1R P07333 1/20 0.41
FLT3 P36888 2/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
SLC2A1 P11166 1/20 0.40
SYK P43405 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL215533 0.91 TNK2 (0.48) EGFRWEE1FLT3SLC2A1PLK1
SCHEMBL9609429 0.91 EGFR (0.41) EGFRWEE1CSF1RTNK2
SCHEMBL8509903 0.89 FLT3 (0.52) WEE1FLT3CDK1CCNB1CCNE1
SCHEMBL8509288 0.89 TNK2 (0.48) EGFRWEE1CDK4CCND1CCND2
SCHEMBL8512662 0.89 EGFR (0.45) EGFRWEE1CDK4CCND1CCND2
SCHEMBL215168 0.85 SLC2A1 (0.44) EGFRWEE1CSF1RSLC2A1PLK1
SCHEMBL220728 0.85 SLC2A1 (0.44) EGFRWEE1CSF1RSLC2A1PLK1
SCHEMBL8513062 0.85 TNK2 (0.48) EGFRWEE1FLT3SLC2A1TNK2
SCHEMBL8510529 0.84 WEE1 (0.39) EGFRWEE1SYKPLK1TNK2
SCHEMBL8514192 0.84 JAK2 (0.49) EGFRWEE1FLT3SLC2A1TNK2

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 EGFR 425/4885WEE1 1/4885CSF1R 1468/4885

“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.