SCHEMBL30022985

SCHEMBL30022985

O=C(C#CCCO)N1CCCC(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.59
TYK2 P29597 1/20 0.59
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 3/20 0.47
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.41
AGTR1 P30556 1/20 0.41
EPHX2 P34913 1/20 0.41
PROKR1 Q8TCW9 7/20 0.40
PDE4B Q07343 1/20 0.40
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.37

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
SCHEMBL30022582 0.90 JAK1 (0.58) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL30023088 0.87 JAK1 (0.58) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL30022445 0.80 JAK1 (0.51) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL30021697 0.80 JAK1 (0.55) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL3999994 0.79 SLC6A2 (0.57) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL30022181 0.77 JAK1 (0.49) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL24855522 0.73 ALDH1A1 (0.56) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL29790471 0.73 ALDH1A1 (0.56) JAK1TYK2SLC6A2SLC6A4SLC6A3
SCHEMBL8347455 0.69 CCNC (0.56) LMNATP53MAPTPROKR1HPGD
SCHEMBL1823350 0.68 SLC6A2 (0.56) JAK1TYK2SLC6A2SLC6A4SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. 2024-08-15 US disclosed
WO-2022251280-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. (US) 2022-12-01 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-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE JAK2, JAK1, JAK3 JAK1 2/4885TYK2 8/4885SLC6A2 4827/4885

“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.