SCHEMBL30201417

SCHEMBL30201417

CC1CN(C(=O)c2cnc3c(ccn3-c3ccc(C(=O)/N=C/N(C)C)nc3)c2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
VNN1 O95497 2/20 0.39
MGLL Q99685 1/20 0.35
GLRA1 P23415 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DGAT1 O75907 1/20 0.31
GRIN2B Q13224 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PIK3R5 Q8WYR1 1/20 0.30
PIK3R3 Q92569 1/20 0.30

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
SCHEMBL31038248 1.00 HPGD (0.40) HPGDVNN1MGLLGLRA1SMN1; SMN2
SCHEMBL31038238 0.91 HPGD (0.40) HPGDVNN1MGLLSMN1; SMN2ALDH1A1
SCHEMBL30201633 0.85 HPGD (0.45) HPGDVNN1MGLLGLRA1SMN1; SMN2
SCHEMBL30202213 0.84 HPGD (0.42) HPGDVNN1MGLLGLRA1SMN1; SMN2
SCHEMBL30201685 0.81 HPGD (0.36) HPGDMGLLSMN1; SMN2MEN1ALDH1A1
SCHEMBL30201361 0.79 HPGD (0.44) HPGDVNN1MGLLGLRA1DGAT1
SCHEMBL31038244 0.76 KMT2A (0.41) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30201148 0.76 KMT2A (0.41) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30201388 0.76 HPGD (0.41) HPGDVNN1MGLLGLRA1NPSR1
SCHEMBL24942867 0.75 HPGD (0.55) HPGDVNN1MGLLGLRA1MEN1

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 1/4885VNN1 596/4885MGLL 1025/4885

“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.