SCHEMBL7585671

SCHEMBL7585671

CCOC(=O)CN(C)C1CCC(CNc2ncc3ncnc(Nc4cccc(Cl)c4)c3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.44
CSNK2A1 P68400 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CNR2 P34972 3/20 0.41
PRKCQ Q04759 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ERBB2 P04626 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
BRAF P15056 1/20 0.39
FBP1 P09467 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7577727 0.91 EGFR (0.44) EGFRCSNK2A1CSNK2A2CSNK2BCNR2
SCHEMBL7585664 0.87 EGFR (0.47) EGFRERBB2BRAFFBP1MAPT
SCHEMBL7578338 0.85 EGFR (0.47) EGFRCSNK2A1CSNK2A2CSNK2BPRKCQ
SCHEMBL7585269 0.84 EGFR (0.54) EGFRERBB2BRAFMAPT
SCHEMBL7580720 0.83 EGFR (0.48) EGFRCSNK2A1CSNK2A2CSNK2BERBB2
SCHEMBL7577721 0.81 EGFR (0.45) EGFRERBB2BRAFFBP1MAPT
SCHEMBL7585329 0.78 EGFR (0.56) EGFRCSNK2A1HPGDBRAF
SCHEMBL7577862 0.77 CSNK2A1 (0.51) EGFRCSNK2A1CSNK2A2CSNK2BERBB2
SCHEMBL7584976 0.77 EGFR (0.58) EGFRERBB2BRAFMAPT
SCHEMBL7577902 0.77 EGFR (0.54) EGFRERBB2BRAFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EGFR 1041/4885CSNK2A1 525/4885CSNK2A2 865/4885

“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.