SCHEMBL22164644

SCHEMBL22164644

COc1cc2ncnc(NCC3CCN(S(N)(=O)=O)CC3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 13/20 0.58
NSD2 O96028 1/20 0.49
EGFR P00533 3/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KDR P35968 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL29398561 1.00 ENPP1 (0.58) ENPP1NSD2EGFRKDM4ELMNA
SCHEMBL20305205 0.77 ENPP1 (0.92) ENPP1MAPK1
SCHEMBL23762362 0.74 ENPP1 (0.60) ENPP1
SCHEMBL23762245 0.73 ENPP1 (1.00) ENPP1MAPK1
Hydrochloric Acid SCHEMBL23727275 0.73 ENPP1 (0.59) ENPP1
SCHEMBL11857812 0.73 ENPP1 (0.73) ENPP1EGFRKDM4ELMNAHPGD
SCHEMBL20305103 0.73 ENPP1 (0.72) ENPP1MAPK1
SCHEMBL23762284 0.72 ENPP1 (1.00) ENPP1EGFRKDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL30080035 0.72 ENPP1 (0.75) ENPP1EGFRKDM4ELMNAHPGD
SCHEMBL23762286 0.72 ENPP1 (0.95) ENPP1EGFRKDM4ELMNAHPGD

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 3 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
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

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 ENPP1 1/4885NSD2 3728/4885EGFR 4818/4885

“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.