SCHEMBL17688337

SCHEMBL17688337

C=Cc1ncc(Cl)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
ERN1 O75460 1/20 0.33
PDXK O00764 1/20 0.33

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
SCHEMBL16632734 0.79 ERN1 (0.46) PLAUERN1
SCHEMBL1138039 0.78 SMN1; SMN2 (0.39) PLAUPDXK
SCHEMBL30224739 0.75 MAPT (0.32)
SCHEMBL6183097 0.75 PDXK (0.36) PDXK
SCHEMBL17688294 0.75 IDO1 (0.35) PLAU
SCHEMBL22866427 0.75 PDXK (0.33) PDXK
SCHEMBL29661895 0.75 PDXK (0.33) PDXK
SCHEMBL18335168 0.71 PLAU (0.42) PLAU
SCHEMBL16011589 0.71 PDXK (0.47) PLAUPDXK
SCHEMBL16011584 0.71 PDXK (0.33) PLAUPDXK

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
EP-3997096-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-08-28 EP disclosed
US-20220242876-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-04 US disclosed
EP-3997096-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-05-18 EP disclosed
WO-2016059412-A1 6,7-HETEROCYCLIC FUSED 5H-PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-21 WO disclosed
WO-2016059412-A1 6,7-HETEROCYCLIC FUSED 5H-PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-21 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 (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-20220242876-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP1A2 PLAU 4546/4885ERN1 2020/4885PDXK 598/4885

“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.