SCHEMBL22440210

SCHEMBL22440210

c1cncc(CNc2cnc3nc[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2C19 P33261 1/20 0.46
▸ CLK1 P49759 6/20 0.46
▸ DYRK1A Q13627 6/20 0.46
▸ CLK4 Q9HAZ1 4/20 0.46
▸ CLK2 P49760 3/20 0.46
▸ DYRK1B Q9Y463 3/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CLK3 P49761 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL22440192 0.86 DHFR (0.51) CDK2CYP1A2CYP2D6
SCHEMBL22440204 0.81 CDC7 (0.56) KMT2A
SCHEMBL21303622 0.80 LTA4H (0.54) LTA4HALDH1A1MAPTMEN1PABPC1
SCHEMBL22440183 0.78 QPCT (0.47) ALDH1A1MAPTMEN1KMT2ACYP2C19
SCHEMBL22440179 0.78 QPCT (0.53) ALDH1A1MAPTMEN1KMT2ACLK1
SCHEMBL22440212 0.77 MAOA (0.53) ALDH1A1MAPTMEN1KMT2ACYP2C19
SCHEMBL22440202 0.76 NPC1 (0.43) CLK1DYRK1ADYRK1BCDK2CYP1A2
SCHEMBL22440191 0.76 QPCT (0.49) CLK1DYRK1ACLK4CLK2DYRK1B
SCHEMBL22440188 0.76 BRAF (0.40) CLK1DYRK1ACLK4CLK2DYRK1B
SCHEMBL22440207 0.75 MAPT (0.53) ALDH1A1MAPTMEN1KMT2ACLK1

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 LTA4H 1949/4885ALDH1A1 3918/4885MAPT 4289/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT LTA4H 1673/4885ALDH1A1 3726/4885MAPT 4117/4885

“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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