SCHEMBL25002124

SCHEMBL25002124

N=c1sccc(=O)n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
GSK3B P49841 7/20 0.47
GSK3A P49840 5/20 0.47
MAPT P10636 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 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
SCHEMBL23749758 0.68 ALDH1A1 (0.72) HSD17B10GSK3BGSK3AMAPTGAA
SCHEMBL23727071 0.67 INMT (0.41) HSD17B10EP300KAT2BGSK3BMAPT
SCHEMBL15965314 0.67 EGFR (0.45) HSD17B10MAPTGAAMAPK1ALDH1A1
SCHEMBL10059392 0.66 ALDH1A1 (0.49) HSD17B10MAPTCYP3A4GAAMAPK1
SCHEMBL11156963 0.66 GSK3B (0.58) HSD17B10GSK3BGSK3AMAPTCYP3A4
Hydrochloric Acid SCHEMBL15952788 0.65 EGFR (0.44) HSD17B10MAPTGAAMAPK1ALDH1A1
SCHEMBL5306506 0.65 MAPK1 (0.71) HSD17B10GSK3BGSK3AMAPTCYP3A4
SCHEMBL1722780 0.65 GSK3B (0.71) GSK3BGSK3AGAAMAPK1ALDH1A1
SCHEMBL23642992 0.64 GSK3B (1.00) EP300KAT2BGSK3BGSK3AMAPT
SCHEMBL712190 0.64 GSK3A (0.45) EP300KAT2BGSK3BGSK3AMAPT

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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION THE ROCKEFELLER UNIVERSITY (US) 2024-10-17 US disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION LATS1, LATS2, YAP1 HSD17B10 4749/4885EP300 1849/4885KAT2B 2955/4885

“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.