SCHEMBL21303610

SCHEMBL21303610

Clc1ccc(CNc2cnc3[nH]cnc3c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.47
▸ ABL1 P00519 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ DYRK1A Q13627 7/20 0.41
▸ CLK4 Q9HAZ1 7/20 0.41
▸ CLK2 P49760 5/20 0.41
▸ CLK1 P49759 4/20 0.41
▸ DYRK1B Q9Y463 4/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 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
SCHEMBL21303627 0.86 RAB9A (0.47) QPCTABL1ALDH1A1
SCHEMBL21303629 0.83 CDC7 (0.51) MAP4K4MAPK1
SCHEMBL22448314 0.80 IP6K1 (0.56) QPCTABL1MAPK1ALDH1A1
SCHEMBL22440191 0.80 QPCT (0.49) QPCTABL1FFAR1DYRK1ACLK4
SCHEMBL21303602 0.80 GAA (0.46) QPCTABL1DYRK1ACLK4CLK2
SCHEMBL21303660 0.78 IP6K1 (0.51) QPCTABL1FFAR1DYRK1ACLK1
SCHEMBL21303609 0.78 GAA (0.53) QPCTABL1GAAALDH1A1
SCHEMBL21303664 0.77 MAPT (0.51) QPCTABL1DYRK1ACLK1GAA
SCHEMBL21303608 0.76 NPC1 (0.44) ABL1DYRK1ACLK1DYRK1BPIM1
SCHEMBL21303622 0.76 LTA4H (0.54) DYRK1ACLK1GAAALDH1A1

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 QPCT 3/4885ABL1 3351/4885FFAR1 1892/4885

“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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