SCHEMBL7585765

SCHEMBL7585765

CN(CC(=O)O)[C@H]1CC[C@H](N(C)c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.53
ERBB2 P04626 11/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.51
ERBB4 Q15303 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CSNK2A1 P68400 1/20 0.43
BRAF P15056 1/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
GRM1 Q13255 1/20 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
SCHEMBL7584883 0.94 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584865 0.94 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL7603145 0.93 EGFR (0.52) EGFRERBB2HPGDHTTMAPT
SCHEMBL7580700 0.89 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL7580691 0.89 EGFR (0.53) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584741 0.89 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL7584754 0.89 EGFR (0.66) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316553 0.87 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316549 0.87 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL7578295 0.87 EGFR (0.51) EGFRERBB2HPGDHTTMAPT

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 1041/4885ERBB2 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.