SCHEMBL20567762

SCHEMBL20567762

Nc1ncnc2c1ncn2S(=O)(=O)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.51
▸ ADORA1 P30542 8/20 0.51
▸ PI4KA P42356 9/20 0.47
▸ PI4K2B Q8TCG2 9/20 0.47
▸ PI4K2A Q9BTU6 9/20 0.47
▸ PI4KB Q9UBF8 9/20 0.47
▸ ADORA2B P29275 4/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GSK3B P49841 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ AHCY P23526 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44

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
SCHEMBL11908593 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL580610 0.71 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.70 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL667204 0.70 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5576830 0.69 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21128139 0.69 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5663802 0.69 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1370892 0.68 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13007709 0.68 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL106573 0.68 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200101048-A1 ANTIBACTERIAL AGENTS INCLUDING HISTIDINE KINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-04-02 — — US claimed
WO-2018217884-A1 ANTIBACTERIAL AGENTS INCLUDING HISTIDINE KINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-11-29 — — WO claimed
US-11452714-B2 Antibacterial agents including histidine kinase inhibitors REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-09-27 — — US disclosed
US-11452714-B2 Antibacterial agents including histidine kinase inhibitors REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-09-27 — — US disclosed
US-20200101048-A1 ANTIBACTERIAL AGENTS INCLUDING HISTIDINE KINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-04-02 — — US disclosed
US-20200101048-A1 ANTIBACTERIAL AGENTS INCLUDING HISTIDINE KINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-04-02 — — US disclosed
WO-2018217884-A1 ANTIBACTERIAL AGENTS INCLUDING HISTIDINE KINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-11-29 — — WO disclosed
WO-2018217884-A1 ANTIBACTERIAL AGENTS INCLUDING HISTIDINE KINASE INHIBITORS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-11-29 — — 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 (2 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-20200101048-A1 ANTIBACTERIAL AGENTS INCLUDING HISTIDINE KINASE INHIBITORS PDXK, BLK, DCK ADORA2A 2027/4885ADORA1 1625/4885PI4KA 458/4885
US-11452714-B2 Antibacterial agents including histidine kinase inhibitors PDXK, BLK, DCK ADORA2A 2027/4885ADORA1 1625/4885PI4KA 458/4885

“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.

Send feedback