SCHEMBL21303629

SCHEMBL21303629

Clc1cccc(CNc2cnc3[nH]cnc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.51
▸ DBF4 Q9UBU7 1/20 0.51
▸ TMIGD3 P0DMS9 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ GRM4 Q14833 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ APP P05067 2/20 0.41
▸ IP6K1 Q92551 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ MAPK1 P28482 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 0.85 RAB9A (0.47) HDAC3HDAC1HDAC2HDAC6IP6K1
SCHEMBL22448314 0.85 IP6K1 (0.56) HDAC6CDK1IP6K1MAPK1HTT
SCHEMBL21303610 0.83 QPCT (0.47) MAP4K4MAPK1
SCHEMBL21303661 0.81 QPCT (0.51) EGFRAPPMAPK1HTT
SCHEMBL22440204 0.81 CDC7 (0.56) CDC7DBF4TMIGD3HTR2BHTR2C
SCHEMBL21303616 0.80 FFAR1 (0.51) IP6K1
SCHEMBL21303622 0.80 LTA4H (0.54) HTT
SCHEMBL21303660 0.77 IP6K1 (0.51) HDAC3HDAC1HDAC2HDAC6IP6K1
SCHEMBL22448290 0.74 APP (0.50) TMIGD3HTR2BHTR2CHDAC3HDAC1
SCHEMBL21303625 0.74 CLK1 (0.40) IP6K1

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 CDC7 3021/4885DBF4 993/4885TMIGD3 1214/4885

“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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