SCHEMBL21295271

SCHEMBL21295271

c1ccc(CNc2ccc3[nH]cnc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
CDK1 P06493 2/20 0.50
CDK2 P24941 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
MAP4K4 O95819 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ACHE P22303 2/20 0.42

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
SCHEMBL16171 0.79 CDK2 (0.64) CYP1A2CYP2D6CDK1CDK2MAPK1
SCHEMBL2219084 0.77 KDM4E (0.51) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22448313 0.77 MAP4K4 (0.52) CYP1A2CYP2D6CDK1CDK2MAPK1
SCHEMBL13256589 0.76 CDK2 (0.60) CDK1CDK2MAPK1ALDH1A1MEN1
SCHEMBL2192514 0.76 NAMPT (0.55) CDK2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL19881908 0.75 ALDH1A1 (0.39) CDK1CDK2MAP4K4ALDH1A1KDM4E
SCHEMBL14237602 0.72 FABP1 (0.57) CYP1A2CYP2D6MAPK1LMNATSHR
SCHEMBL22440192 0.72 DHFR (0.51) CYP1A2CYP2D6CDK1CDK2MAPK1
SCHEMBL22533985 0.71 CDK2 (0.49) CYP1A2CYP2D6CDK1CDK2LMNA
SCHEMBL29424829 0.71 CDK2 (0.49) CYP1A2CYP2D6CDK1CDK2LMNA

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 5 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
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 (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 CYP1A2 4521/4885CYP2D6 4527/4885CDK1 3936/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT CYP1A2 4362/4885CYP2D6 4446/4885CDK1 4067/4885

“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.