SCHEMBL22448313

SCHEMBL22448313

c1ccc(CNc2ccc3nc[nH]c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.52
▸ IP6K1 Q92551 1/20 0.50
▸ FABP1 P07148 1/20 0.47
▸ FABP6 P51161 1/20 0.47
▸ CDK1 P06493 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ QPCT Q16769 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 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
SCHEMBL1019383 0.78 IP6K1 (0.47) IP6K1CDK1PDE4APDE4BPDE4C
SCHEMBL21295271 0.77 CYP1A2 (0.50) MAP4K4FABP1FABP6CDK1PDE4A
SCHEMBL21303626 0.76 ABL1 (0.40) MAP4K4IP6K1CYP1A2CYP2D6TSHR
SCHEMBL2219904 0.76 NAMPT (0.60) MAPK1CDK2ALDH1A1KMT2AMEN1
SCHEMBL413320 0.74 LMNA (0.47) MAP4K4FABP1FABP6CYP1A2CYP2D6
SCHEMBL2193157 0.72 IP6K1 (0.48) IP6K1CDK1CYP1A2CYP2D6LMNA
SCHEMBL30885179 0.71 RAB9A (0.66) MAP4K4FABP1FABP6LMNAALDH1A1
SCHEMBL19553834 0.71 RAB9A (0.66) MAP4K4FABP1FABP6LMNAALDH1A1
SCHEMBL22448314 0.71 IP6K1 (0.56) IP6K1CDK1PDE4APDE4BPDE4C
SCHEMBL23810210 0.71 NCF1 (0.44) CYP1A2ALDH1A1HPGDKDM4ECYP3A4

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 2 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

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 MAP4K4 3031/4885IP6K1 3523/4885FABP1 3099/4885

“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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