SCHEMBL22165149

SCHEMBL22165149

COc1cc2ncnc(-c3ccc(CP(=O)(O)O)cc3)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.52
▸ ENPP1 P22413 4/20 0.49
▸ PDK1 Q15118 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ KDR P35968 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.43
▸ EGFR P00533 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL20813395 0.88 KIT (0.50) KITENPP1PDK1MEN1KMT2A
SCHEMBL31400270 0.88 KIT (0.50) KITENPP1PDK1MEN1KMT2A
SCHEMBL29395470 0.85 KIT (0.49) KITENPP1PDK1MEN1KMT2A
SCHEMBL22169995 0.85 KIT (0.49) KITENPP1PDK1MEN1KMT2A
SCHEMBL24510846 0.85 ENPP1 (0.62) KITENPP1PDK1PDE10A
SCHEMBL31502054 0.85 ENPP1 (0.62) KITENPP1PDK1PDE10A
SCHEMBL24262963 0.84 KIT (0.55) KITENPP1PDK1KDRPDE10A
SCHEMBL22164766 0.83 KIT (0.57) KITENPP1PDK1MEN1KMT2A
SCHEMBL22300110 0.81 KIT (0.55) KITENPP1PDK1MEN1KMT2A
SCHEMBL22164793 0.81 KDR (0.60) KDR

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 KIT 4456/4885ENPP1 1/4885PDK1 400/4885

“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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