SCHEMBL25829104

SCHEMBL25829104

CC(CF)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 2/20 0.31
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 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
SCHEMBL27565285 0.80 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL3552768 0.78
SCHEMBL21217021 0.78 CXCR4 (0.34) CYP2D6TDP1MEN1KMT2A
SCHEMBL23869469 0.78 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL21540021 0.78 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL21506305 0.76 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL21506034 0.76 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL19407706 0.76 SLC6A2 (0.38) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL21599249 0.76 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL21862178 0.76 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C19ALDH1A1MAPT

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 CYP3A4 3314/4885CYP2D6 2252/4885CYP2C19 990/4885

“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.