SCHEMBL21589905

SCHEMBL21589905

Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccccc4)c12)CCCC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
KMT2A Q03164 6/20 0.67
NPSR1 Q6W5P4 6/20 0.67
MEN1 O00255 5/20 0.67
MAPT P10636 5/20 0.67
KDM4E B2RXH2 4/20 0.67
HPGD P15428 1/20 0.67
LMNA P02545 4/20 0.66
HTT P42858 3/20 0.66
PLA2G1B P04054 1/20 0.66
ATG4B Q9Y4P1 1/20 0.66
EEF2K O00418 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL25891578 0.91 ALDH1A1 (0.67) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL426050 0.79 MAPT (0.66) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL19000235 0.78 MAPT (0.60) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL13186407 0.77 ALDH1A1 (0.86) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL423967 0.77 ADORA2A (0.62) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL14969506 0.76 ALDH1A1 (0.97) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL430700 0.76 MAPT (0.59) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL430861 0.76 MAPT (0.59) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL13392956 0.76 ALDH1A1 (0.84) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL13186408 0.75 KMT2A (0.86) ALDH1A1KMT2ANPSR1MEN1MAPT

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 7 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
US-20230226027-A1 THIENOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION UNIVERSITE TOULOUSE III - PAUL SABATIER (FR) 2023-07-20 US disclosed
US-20230030517-A1 EPAC1 INHIBITORS FOR THE TREATMENT OF IDIOPATHIC PULMONARY FIBROSIS UNIVERSITÉ PAUL SABATIER TOULOUSE III (FR) 2023-02-02 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
US-20210230179-A1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS EPAC INHIBITORS AND THEIR PHARMACEUTICAL USES Universite Paris-Saclay (FR) 2021-07-29 US 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 (3 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-20210230179-A1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS EPAC INHIBITORS AND THEIR PHARMACEUTICAL USES RAPGEF3, EPAS1, RAPGEF4 ALDH1A1 3399/4885KMT2A 2904/4885NPSR1 1832/4885
US-20230226027-A1 THIENOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION TRPC1, SARS1, EPAS1 ALDH1A1 2540/4885KMT2A 3095/4885NPSR1 3862/4885
US-20230030517-A1 EPAC1 INHIBITORS FOR THE TREATMENT OF IDIOPATHIC PULMONARY FIBROSIS RAPGEF4, RAPGEF3, EPAS1 ALDH1A1 2056/4885KMT2A 2721/4885NPSR1 4590/4885

“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.