SCHEMBL21303660

SCHEMBL21303660

c1ccc(-c2ccc(CNc3cnc4[nH]cnc4c3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.51
▸ METAP2 P50579 1/20 0.47
▸ QPCT Q16769 2/20 0.43
▸ FFAR1 O14842 4/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ SGK1 O00141 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ CLK1 P49759 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL22448314 0.92 IP6K1 (0.56) IP6K1METAP2QPCTPDGFRBPDGFRA
SCHEMBL21303662 0.86 CYP1A2 (0.43) IP6K1METAP2CLK1ABL1DYRK1A
SCHEMBL21303665 0.84 F2 (0.56) IP6K1PDGFRBPDGFRAMEN1KMT2A
SCHEMBL21303627 0.83 RAB9A (0.47) IP6K1QPCTHDAC6HDAC3HDAC1
SCHEMBL21303664 0.80 MAPT (0.51) QPCTPDGFRBPDGFRACLK1ABL1
SCHEMBL21303616 0.79 FFAR1 (0.51) IP6K1FFAR1FFAR4MEN1KMT2A
SCHEMBL21303610 0.78 QPCT (0.47) QPCTFFAR1CLK1ABL1DYRK1A
SCHEMBL21303622 0.78 LTA4H (0.54) CLK1DYRK1AMEN1KMT2A
SCHEMBL21303629 0.77 CDC7 (0.51) IP6K1HDAC6HDAC3HDAC1HDAC2
SCHEMBL21303621 0.77 MAOA (0.54) QPCTHDAC6HDAC3HDAC1HDAC2

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 6 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
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
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 IP6K1 3523/4885METAP2 2912/4885QPCT 3/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT IP6K1 3773/4885METAP2 2742/4885QPCT 3/4885

“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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