SCHEMBL26237946

SCHEMBL26237946

COc1cc(OC)c2ncnc(C(C)(C)[n+]3cnc(C(C)(C)C)c4cc(OC)c(OC)cc43)c2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.32
▸ LCK P06239 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 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
SCHEMBL24067435 0.81 PDE5A (0.41) PDE5ALCKEGFRMEN1KMT2A
SCHEMBL26237948 0.69 PDE5A (0.38) PDE5AEGFRMEN1KMT2AALDH1A1
SCHEMBL25670574 0.69 ACHE (0.38) PDE5AEGFRMEN1KMT2AALDH1A1
SCHEMBL12775449 0.68 PDE5A (0.62) PDE5A
SCHEMBL10203311 0.66 EGFR (0.50) LCKEGFR
SCHEMBL20813807 0.64 PDE5A (0.42) PDE5ALCKEGFRMEN1KMT2A
SCHEMBL14671423 0.63 POLB (0.50) PDE5ALCKEGFRMEN1KMT2A
SCHEMBL20813448 0.63 PDE5A (0.41) PDE5ALCKEGFRMEN1KMT2A
SCHEMBL25670576 0.62 HTR1A (0.46) PDE5AEGFRMEN1KMT2A
SCHEMBL26238161 0.61 FGFR2 (0.40) PDE5AEGFRALDH1A1

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-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 — — 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-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885LCK 1000/4885EGFR 1061/4885

“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.

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