SCHEMBL7587532

SCHEMBL7587532

COC(=O)CNC1CCN(c2ncc3ncnc(Nc4cccc(Cl)c4)c3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.51
EGFR P00533 3/20 0.51
MAPT P10636 1/20 0.51
BRAF P15056 15/20 0.45
SCN9A Q15858 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7578554 0.87 ERBB2 (0.51) ERBB2EGFRMAPTBRAFSCN9A
SCHEMBL7577902 0.86 EGFR (0.54) ERBB2EGFRMAPTBRAF
SCHEMBL7587317 0.84 EGFR (0.58) ERBB2EGFRMAPTBRAF
SCHEMBL7585034 0.83 EGFR (0.55) ERBB2EGFRMAPTBRAF
SCHEMBL7585269 0.81 EGFR (0.54) ERBB2EGFRMAPTBRAF
SCHEMBL7581274 0.80 EGFR (0.70) ERBB2EGFRMAPTBRAFHPGD
SCHEMBL7582423 0.80 EGFR (0.63) ERBB2EGFRMAPTBRAF
SCHEMBL8318927 0.80 LMNA (0.54) ERBB2EGFRMAPTBRAF
SCHEMBL7584976 0.80 EGFR (0.58) ERBB2EGFRMAPTBRAF
SCHEMBL7588581 0.79 BRAF (0.46) ERBB2EGFRMAPTBRAF

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 ERBB2 2419/4885EGFR 1041/4885MAPT 1580/4885

“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.