SCHEMBL21303602

SCHEMBL21303602

c1nc2cc(NCc3ccc4c(c3)OCCO4)cnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ QPCT Q16769 1/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EGFR P00533 5/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ PDE5A O76074 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL22440206 0.82 QPCT (0.45) GAAQPCTCLK4L3MBTL1EGFR
SCHEMBL21303667 0.81 ABL1 (0.39) ABL1BRAF
SCHEMBL21303610 0.80 QPCT (0.47) GAAQPCTCLK4CLK1CLK2
SCHEMBL21303627 0.77 RAB9A (0.47) QPCTABL1POLBHDAC3HDAC1
SCHEMBL21303628 0.76 CLK1 (0.57) GAAL3MBTL1CLK1DYRK1ANPC1
SCHEMBL22448314 0.76 IP6K1 (0.56) QPCTABL1HDAC6LMNA
SCHEMBL21303660 0.74 IP6K1 (0.51) QPCTCLK1DYRK1AABL1HDAC3
SCHEMBL21303609 0.74 GAA (0.53) GAAQPCTABL1POLBMEN1
SCHEMBL21303664 0.73 MAPT (0.51) GAAQPCTL3MBTL1CLK1DYRK1A
SCHEMBL21303629 0.73 CDC7 (0.51) EGFRPDE5AHDAC3HDAC1HDAC2

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-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 (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-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES GMPS, GLS, QPCT GAA 192/4885QPCT 3/4885CLK4 1447/4885

“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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