SCHEMBL30201411

SCHEMBL30201411

C[C@H]1CCCN(C(=O)c2cnc3c(ccn3-c3ccc(-c4nc[nH]n4)cc3)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.43
GRM5 P41594 4/20 0.43
MGLL Q99685 1/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
VNN1 O95497 1/20 0.38

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
SCHEMBL24942657 0.91 HPGD (0.54) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL29565241 0.85 HPGD (0.53) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL24942775 0.85 HPGD (0.53) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL23675221 0.85 HPGD (0.53) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL23675222 0.85 HPGD (0.53) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL29565726 0.84 HPGD (0.50) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL29257187 0.82 HPGD (0.50) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL24942223 0.82 HPGD (0.50) HPGDALDH1A1RECQLGRM5MGLL
SCHEMBL29257219 0.80 HPGD (0.56) HPGDALDH1A1RECQLGRM5MAPT
SCHEMBL29257221 0.80 HPGD (0.56) HPGDALDH1A1RECQLGRM5MAPT

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 4 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
CN-118338902-A Pyrrolo [2,3-b ] pyridine PGDH inhibitors and methods of making and using the same 埃皮里姆生物股份有限公司 2024-07-12 CN 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 1/4885ALDH1A1 311/4885RECQL 696/4885

“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.