SCHEMBL25752531

SCHEMBL25752531

Cc1nc2c(nc1C)C(=O)c1nc(C)c(C)nc1C2=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.31
PTK2 Q05397 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL9750690 0.71 MAPT (0.31)
SCHEMBL8371624 0.71 S100A4 (0.48)
Ligustrazine SCHEMBL77624 0.66 LMNA (0.41) KDM4EALDH1A1LMNA
Ligustrazine SCHEMBL27509607 0.66 LMNA (0.41) KDM4EALDH1A1LMNA
Ligustrazine SCHEMBL6069024 0.64 CA5A (0.43) EGFRPTK2PTGS1PTGS2KDM4E
Ligustrazine SCHEMBL583011 0.62 KDM4E (0.39) KDM4EALDH1A1LMNA
Ligustrazine SCHEMBL583535 0.62 KDM4E (0.39) KDM4EALDH1A1LMNA
SCHEMBL13926212 0.62
SCHEMBL12667564 0.62
SCHEMBL12340091 0.59 KDM4E (0.37) KDM4EALDH1A1LMNA

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-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL UNIV KING ABDULLAH SCI & TECH (SA) 2023-06-22 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-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL TET3, TET1, ALKBH2 EGFR 2289/4885PTK2 771/4885PTGS1 4562/4885

“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.