SCHEMBL21589936

SCHEMBL21589936

CNc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.60
RXFP1 Q9HBX9 5/20 0.60
TP53 P04637 1/20 0.60
FOXM1 Q08050 1/20 0.60
LMNA P02545 1/20 0.51
HPGD P15428 7/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 4/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL23515735 0.96 MAPT (0.58) MAPTRXFP1TP53FOXM1LMNA
SCHEMBL24107693 0.93 HPGD (0.54) MAPTRXFP1TP53FOXM1HPGD
SCHEMBL21586257 0.88 MAPT (0.74) MAPTRXFP1TP53FOXM1HPGD
SCHEMBL29932640 0.88 MAPT (0.74) MAPTRXFP1TP53FOXM1HPGD
SCHEMBL23515691 0.84 MAPT (0.71) MAPTRXFP1TP53FOXM1HPGD
SCHEMBL21589903 0.81 HPGD (0.65) MAPTRXFP1TP53FOXM1HPGD
SCHEMBL25891614 0.79 MAPT (0.61) MAPTRXFP1TP53FOXM1HPGD
SCHEMBL21589933 0.76 HPGD (0.56) MAPTRXFP1HPGDMEN1KMT2A
SCHEMBL25891670 0.76 MAPT (0.64) MAPTRXFP1TP53FOXM1LMNA
SCHEMBL29558180 0.75 MAPT (1.00) MAPTRXFP1TP53FOXM1HPGD

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-20230226027-A1 THIENOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION UNIVERSITE TOULOUSE III - PAUL SABATIER (FR) 2023-07-20 US disclosed
WO-2021250231-A1 THIENOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-12-16 WO disclosed
WO-2021116389-A1 EPAC1 INHIBITORS FOR THE TREATMENT OF IDIOPATHIC PULMONARY FIBROSIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2021-06-17 WO disclosed
WO-2019234197-A1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS EPAC INHIBITORS AND THEIR PHARMACEUTICAL USES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2019-12-12 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-20230226027-A1 THIENOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION TRPC1, SARS1, EPAS1 MAPT 3961/4885RXFP1 4561/4885TP53 3646/4885

“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.