SCHEMBL7575751

SCHEMBL7575751

CCOC(=O)CN(CC(=O)OCC)C1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.63
ERBB2 P04626 6/20 0.63
HPGD P15428 1/20 0.63
HTT P42858 1/20 0.63
CSNK2A1 P68400 1/20 0.50
MAPT P10636 1/20 0.49
BRAF P15056 2/20 0.45
FBP1 P09467 1/20 0.42
ERBB4 Q15303 2/20 0.42

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
SCHEMBL7575743 1.00 EGFR (0.63) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7580715 0.93 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7580708 0.93 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7578117 0.89 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7578092 0.89 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7582492 0.89 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7579135 0.87 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7579119 0.87 EGFR (0.65) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7594536 0.86 EGFR (0.70) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7584741 0.85 EGFR (0.66) EGFRERBB2HPGDHTTCSNK2A1

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 3 patents. 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
EP-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EGFR 1041/4885ERBB2 2419/4885HPGD 173/4885

“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.