SCHEMBL21295258

SCHEMBL21295258

[2H]C([2H])(Nc1cnc2nc[nH]c2c1)c1ccc(OCCN)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.35
▸ P2RY14 Q15391 3/20 0.34
▸ BRAF P15056 2/20 0.32
▸ PLA2G2A P14555 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ AKT1 P31749 2/20 0.30
▸ CHUK O15111 1/20 0.30
▸ DYRK3 O43781 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ RPS6KA5 O75582 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PHKG2 P15735 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ PRKX P51817 1/20 0.30
▸ PRKCD Q05655 1/20 0.30

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
SCHEMBL21295263 0.88 PIK3CA (0.38) LTA4HP2RY14QPCTABL1
SCHEMBL22440199 0.77 MAPT (0.40) P2RY14QPCTABL1
SCHEMBL21295277 0.75 QPCT (0.36) P2RY14QPCTABL1
SCHEMBL30770890 0.75 QPCT (0.36) P2RY14QPCTABL1
SCHEMBL22440207 0.72 MAPT (0.53) QPCTABL1ROCK2ROCK1DYRK1A
SCHEMBL21303604 0.71 ABL1 (0.40) LTA4HP2RY14ABL1DYRK1A
SCHEMBL22440183 0.68 QPCT (0.47) P2RY14QPCT
SCHEMBL22440192 0.67 DHFR (0.51) QPCT
SCHEMBL22440191 0.66 QPCT (0.49) QPCTABL1AKT1DYRK3ROCK2
SCHEMBL22440185 0.66 MAPT (0.54) QPCT

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-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 — — US disclosed
US-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-12-17 — — US disclosed
CN-111757883-A Novel inhibitors of bacterial glutaminyl cyclase for the treatment of periodontal and related diseases 弗劳恩霍夫应用研究促进协会 2020-10-09 — — CN disclosed
EP-3589632-B1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der Angewandten Forschung Ev (DE) 2020-09-23 — — EP disclosed
WO-2019162458-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2019-08-29 — — 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-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES GMPS, GLS, QPCT LTA4H 1949/4885P2RY14 885/4885BRAF 4227/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT LTA4H 1673/4885P2RY14 773/4885BRAF 4201/4885

“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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