SCHEMBL30201344

SCHEMBL30201344

N=C(NN)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
MGLL Q99685 1/20 0.41
VNN1 O95497 2/20 0.38
DDR1 Q08345 2/20 0.35
LRRK2 Q5S007 1/20 0.34
ADRA1A P35348 2/20 0.33
SCN9A Q15858 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3C3 Q8NEB9 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
SCHEMBL24942779 1.00 HPGD (0.46) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL24942616 0.88 HPGD (0.50) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL31038242 0.88 HPGD (0.50) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL29564966 0.87 HPGD (0.51) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23675278 0.87 HPGD (0.51) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23675181 0.85 HPGD (0.53) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680591 0.85 HPGD (0.49) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23675218 0.85 HPGD (0.47) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23675215 0.85 HPGD (0.47) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL29565058 0.85 HPGD (0.47) HPGDMGLLVNN1DDR1LRRK2

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-20240294519-A1 PYRROLO[2,3-b]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO INC. 2024-09-05 US disclosed
EP-4376841-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING Epirium Bio Inc. (US) 2024-06-05 EP disclosed
WO-2023009642-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO INC. (US) 2023-02-02 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-20240294519-A1 PYRROLO[2,3-b]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING HPGD, HPGDS, PTGIS HPGD 1/4885MGLL 1025/4885VNN1 596/4885

“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.