SCHEMBL22440202

SCHEMBL22440202

c1nc2ncc(NCc3ccsc3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ PNP P00491 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ BRAF P15056 2/20 0.33
▸ CLK1 P49759 1/20 0.32
▸ MRGPRX1 Q96LB2 1/20 0.32
▸ IP6K1 Q92551 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32

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 0.81 DHFR (0.51) DHFRMAPK1IP6K1LMNACYP1A2
SCHEMBL21303608 0.80 NPC1 (0.44) NPC1PNPKDM4CABL1DYRK1A
SCHEMBL22440183 0.78 QPCT (0.47) NPC1DHFRLMNACYP1A2TSHR
SCHEMBL22440191 0.76 QPCT (0.49) ABL1DYRK1APIM1DYRK1BMAPK1
SCHEMBL22440210 0.76 LTA4H (0.52) NPC1DYRK1ADYRK1BCLK1CYP1A2
SCHEMBL22440188 0.76 BRAF (0.40) ABL1DYRK1ADYRK1BBRAFCLK1
SCHEMBL22440204 0.75 CDC7 (0.56) IGF1R
SCHEMBL22440207 0.75 MAPT (0.53) NPC1ABL1DYRK1ACLK1LMNA
SCHEMBL22440185 0.73 MAPT (0.54) LMNATSHR
SCHEMBL22440212 0.72 MAOA (0.53) NPC1CYP1A2

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 NPC1 3544/4885PNP 577/4885KDM4C 942/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT NPC1 3478/4885PNP 612/4885KDM4C 831/4885

“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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