SCHEMBL19640914

SCHEMBL19640914

CCN(C(=O)O)c1cnc2c(ccn2S(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 2/20 0.39
ALDH3A1 P30838 2/20 0.39
POLB P06746 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.38
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
PPARG P37231 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN11 Q06124 1/20 0.35
PKM P14618 1/20 0.35
MET P08581 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL16670869 0.89 L3MBTL1 (0.45) L3MBTL1HTTALDH3A1POLBNOD1
SCHEMBL2318675 0.86 L3MBTL1 (0.47) L3MBTL1HTTALDH3A1POLBNOD1
SCHEMBL27873416 0.85 L3MBTL1 (0.46) L3MBTL1HTTALDH3A1POLBNOD1
SCHEMBL4346386 0.83 ALDH1A1 (0.40) L3MBTL1HTTPOLBVEGFAEGLN1
SCHEMBL1933942 0.78 L3MBTL1 (0.51) L3MBTL1HTTALDH3A1POLBNOD1
SCHEMBL1933800 0.78 L3MBTL1 (0.39) L3MBTL1HTTALDH3A1POLBNOD1
SCHEMBL14794936 0.78 L3MBTL1 (0.39) L3MBTL1HTTALDH3A1POLBNOD1
Hydrochloric Acid SCHEMBL1536136 0.78 L3MBTL1 (0.50) L3MBTL1HTTALDH3A1POLBNOD1
SCHEMBL1933424 0.77 L3MBTL1 (0.43) L3MBTL1HTTALDH3A1POLBNOD1
SCHEMBL31069822 0.77 L3MBTL1 (0.43) L3MBTL1HTTALDH3A1POLBNOD1

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-11773105-B2 Processes for the preparation of (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]- pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide and solid state forms thereof ABBVIE INC. (US) 2023-10-03 US disclosed
US-20230183257-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF ABBVIE INC. 2023-06-15 US disclosed
US-20170342083-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-ALPHA]PYRROLO[2,3-E]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF ABBVIE INC. 2017-11-30 US 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-20230183257-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF CNKSR1, JAK2, TNF L3MBTL1 4848/4885HTT 1174/4885ALDH3A1 684/4885
US-20170342083-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-ALPHA]PYRROLO[2,3-E]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF CNKSR1, JAK2, TNF L3MBTL1 4851/4885HTT 1439/4885ALDH3A1 750/4885
US-11773105-B2 Processes for the preparation of (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]- pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide and solid state forms thereof CNKSR1, JAK2, TNF L3MBTL1 4848/4885HTT 1174/4885ALDH3A1 684/4885

“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.