SCHEMBL9609429

SCHEMBL9609429

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.41
WEE1 P30291 8/20 0.40
JAK3 P52333 1/20 0.38
TNK2 Q07912 2/20 0.38
SMO Q99835 1/20 0.38
TTK P33981 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL8510529 0.94 WEE1 (0.39) EGFRWEE1JAK3TNK2SMO
SCHEMBL8512924 0.93 WEE1 (0.43) WEE1JAK3
SCHEMBL8513049 0.93 WEE1 (0.41) EGFRWEE1JAK3CSF1R
SCHEMBL8514669 0.91 EGFR (0.47) EGFRWEE1TNK2CSF1R
SCHEMBL8511844 0.90 WEE1 (0.47) WEE1JAK3
SCHEMBL8509288 0.88 TNK2 (0.48) EGFRWEE1JAK3TNK2TTK
SCHEMBL215533 0.88 TNK2 (0.48) EGFRWEE1JAK3TNK2TTK
SCHEMBL8512662 0.85 EGFR (0.45) EGFRWEE1TNK2TTK
SCHEMBL216503 0.84 EGFR (0.43) EGFRWEE1TNK2TTK
SCHEMBL217131 0.83 WEE1 (0.45) EGFRWEE1TNK2TTK

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 4 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-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 1/4885JAK3 121/4885

“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.