SCHEMBL29398403

SCHEMBL29398403

CNc1nc(NCc2ccc(B(O)O)cc2)c2ccc(OC)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.52
TCF7L2 Q9NQB0 9/20 0.52
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
SLC2A1 P11166 1/20 0.47
EGFR P00533 1/20 0.47
APP P05067 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
TACR3 P29371 1/20 0.43

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
SCHEMBL22165144 1.00 CTNNB1 (0.52) CTNNB1TCF7L2BCHEACHESLC2A1
SCHEMBL22164649 0.86 APP (0.63) EGFRAPPHTTTACR3
SCHEMBL29399234 0.86 APP (0.63) EGFRAPPHTTTACR3
SCHEMBL22165166 0.86 HTT (0.49) CTNNB1TCF7L2EGFRAPPMEN1
SCHEMBL22170000 0.84 CTNNB1 (0.50) CTNNB1TCF7L2EGFRAPP
SCHEMBL29397324 0.81 EGFR (0.72) EGFRMEN1KMT2AHTT
SCHEMBL22166042 0.81 EGFR (0.72) EGFRMEN1KMT2AHTT
Formic Acid SCHEMBL29395376 0.80 CTNNB1 (0.49) CTNNB1TCF7L2
Formic Acid SCHEMBL22164697 0.80 CTNNB1 (0.49) CTNNB1TCF7L2
SCHEMBL2590209 0.79 EGFR (0.69) BCHEACHESLC2A1EGFRAPP

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-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-02-24 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-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A CTNNB1 4724/4885TCF7L2 4452/4885BCHE 952/4885

“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.