SCHEMBL22440204

SCHEMBL22440204

Clc1cccc(CNc2cnc3nc[nH]c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 4/20 0.56
▸ DBF4 Q9UBU7 4/20 0.56
▸ TMIGD3 P0DMS9 2/20 0.55
▸ HTR2B P41595 2/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ GRM4 Q14833 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ EGFR P00533 2/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL22440183 0.85 QPCT (0.47) CDC7DBF4KMT2A
SCHEMBL22440192 0.85 DHFR (0.51) CDK1
SCHEMBL22440191 0.83 QPCT (0.49) CDC7DBF4MAOB
SCHEMBL22440179 0.81 QPCT (0.53) CDC7DBF4PIN1KMT2A
SCHEMBL21303629 0.81 CDC7 (0.51) CDC7DBF4TMIGD3HTR2BHTR2C
SCHEMBL22440210 0.81 LTA4H (0.52) KMT2A
SCHEMBL22440181 0.78 PRMT6 (0.49) KMT2A
SCHEMBL22440202 0.75 NPC1 (0.43) IGF1R
SCHEMBL22440185 0.75 MAPT (0.54) KMT2A
SCHEMBL22440188 0.75 BRAF (0.40) MAPK8

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-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

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 CDC7 3021/4885DBF4 993/4885TMIGD3 1214/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT CDC7 3203/4885DBF4 1286/4885TMIGD3 1207/4885

“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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