SCHEMBL30201450

SCHEMBL30201450

O=C(c1cnc2c(ccn2-c2cccc(-c3nc[nH]n3)c2)c1)N1CCC(F)(F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.55
MGLL Q99685 1/20 0.43
DDR1 Q08345 4/20 0.38
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
GABRA5 P31644 1/20 0.36
USP2 O75604 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HIF1A Q16665 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23675126 0.90 HPGD (0.46) HPGDMGLLDDR1ROCK2ROCK1
SCHEMBL23675282 0.88 HPGD (0.55) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL29564808 0.88 HPGD (0.55) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL30201678 0.85 HPGD (0.47) HPGDMGLLDDR1ROCK2ROCK1
SCHEMBL23675349 0.85 HPGD (0.51) HPGDMGLLDDR1
SCHEMBL24942912 0.84 HPGD (0.53) HPGDMGLLDDR1GABRA5USP2
SCHEMBL30201664 0.84 HPGD (0.53) HPGDMGLLDDR1GABRA5USP2
SCHEMBL23675344 0.82 HPGD (0.61) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL24942913 0.82 HPGD (0.61) HPGDMGLLDDR1ROCK2USP2
SCHEMBL30201394 0.82 HPGD (0.61) HPGDMGLLDDR1ROCK2USP2

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 1025/4885DDR1 4538/4885

“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.