SCHEMBL22165166

SCHEMBL22165166

COc1ccc2c(NCc3ccc(B(O)O)cc3)nc(Cl)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
EGFR P00533 2/20 0.48
APP P05067 3/20 0.47
PDE5A O76074 2/20 0.47
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
POLB P06746 2/20 0.44
TACR3 P29371 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 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
SCHEMBL29399234 0.87 APP (0.63) HTTEGFRAPPTACR3CYP2D6
SCHEMBL22164649 0.87 APP (0.63) HTTEGFRAPPTACR3CYP2D6
SCHEMBL29398403 0.86 CTNNB1 (0.52) HTTEGFRAPPTACR3CTNNB1
SCHEMBL22165144 0.86 CTNNB1 (0.52) HTTEGFRAPPTACR3CTNNB1
SCHEMBL22170000 0.85 CTNNB1 (0.50) EGFRAPPCTNNB1TCF7L2
SCHEMBL3110406 0.82 HTT (0.70) HTTEGFRAPPPDE5ACCNE2
SCHEMBL29397324 0.82 EGFR (0.72) HTTEGFRPDE5APOLBLMNA
SCHEMBL22166042 0.82 EGFR (0.72) HTTEGFRPDE5APOLBLMNA
SCHEMBL3115102 0.81 HTT (0.56) HTTEGFRAPPPDE5ACCNE2
Formic Acid SCHEMBL22164697 0.81 CTNNB1 (0.49) CTNNB1TCF7L2

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 5 patents. 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
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-02-24 US disclosed
EP-3902787-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2021-11-03 EP disclosed
WO-2020140001-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-07-02 WO disclosed
WO-2020140001-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-07-02 WO 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 HTT 2348/4885EGFR 4818/4885APP 3398/4885

“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.