SCHEMBL25829357

SCHEMBL25829357

CC1CN(C)CC(C[C@H]2CN(C)CC(C[C@@H]3CN(C)CCO3)O2)O1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
SLC6A2 P23975 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL9936731 0.84 HRH3 (0.41) HRH3SLC6A2IRAK4PDK1
Hydrochloric Acid SCHEMBL27625653 0.77 HRH3 (0.38) HRH3SLC6A2IRAK4PDK1
SCHEMBL24717709 0.74 EBP (0.35) PDK1
SCHEMBL25704176 0.73 EPHX2 (0.32)
SCHEMBL20356301 0.72
SCHEMBL22300957 0.72 HRH3 (0.33) HRH3SLC6A2PDK1
SCHEMBL9935790 0.72 HRH3 (0.41) HRH3SLC6A2PDK1
SCHEMBL24718214 0.72 EBP (0.36) PDK1
SCHEMBL2302961 0.71
SCHEMBL11895879 0.71

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 HRH3 2399/4885SLC6A2 4655/4885IRAK4 1563/4885

“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.