SCHEMBL21295263

SCHEMBL21295263

NCCOc1ccc(CNc2cnc3nc[nH]c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ DHFR P00374 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ CACNA1B Q00975 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL21295258 0.88 LTA4H (0.35) ABL1P2RY14LTA4HQPCT
SCHEMBL22440199 0.88 MAPT (0.40) PIK3CAMAPTABL1P2RY14KDM4E
SCHEMBL22440207 0.84 MAPT (0.53) PIK3CAMAPTABL1KDM4EQPCT
SCHEMBL30770890 0.84 QPCT (0.36) PIK3CAMAPTABL1P2RY14KDM4E
SCHEMBL21295277 0.84 QPCT (0.36) PIK3CAMAPTABL1P2RY14KDM4E
SCHEMBL21303604 0.82 ABL1 (0.40) MAPTABL1P2RY14LTA4HKDM4E
SCHEMBL22440183 0.80 QPCT (0.47) MAPTP2RY14KDM4EDHFRQPCT
SCHEMBL22440192 0.79 DHFR (0.51) PIK3CADHFRQPCT
SCHEMBL22440191 0.75 QPCT (0.49) ABL1QPCT
SCHEMBL22440185 0.75 MAPT (0.54) MAPTKDM4EQPCTALDH1A1

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 4 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
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 PIK3CA 2620/4885MAPT 4289/4885ABL1 3351/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT PIK3CA 2568/4885MAPT 4117/4885ABL1 3082/4885

“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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