SCHEMBL24956331

SCHEMBL24956331

CC(C)c1ccc(-c2cnn(C3CCNCC3)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.56
IRAK1 P51617 1/20 0.55
JAK2 O60674 5/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
KHK P50053 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP3A5 P20815 2/20 0.47
CYP3A7 P24462 2/20 0.47
CYP2C19 P33261 2/20 0.47
PDK4 Q16654 2/20 0.47
CYP3A43 Q9HB55 2/20 0.47
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
PIM1 P11309 1/20 0.45

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
SCHEMBL26352019 0.83 JAK2 (0.50) IRAK4IRAK1JAK2JAK1TYK2
SCHEMBL12536251 0.78 CHRNB2 (0.48) IRAK4IRAK1JAK2JAK1TYK2
SCHEMBL13466382 0.75 CYP11B1 (0.50) PIM1MET
SCHEMBL17806588 0.74 PIK3CD (0.46) IRAK4IRAK1JAK2JAK1JAK3
SCHEMBL25801935 0.73 CHRNB2 (0.44) IRAK4IRAK1JAK2JAK1TYK2
SCHEMBL17776672 0.72 IRAK4 (1.00) IRAK4IRAK1CHRNB2CHRNA4PIM1
SCHEMBL30108193 0.72 PIM1 (0.52) IRAK4IRAK1JAK2JAK1TYK2
SCHEMBL14320710 0.72 PIM1 (0.54) IRAK4IRAK1CYP1A2CYP3A4CYP3A5
SCHEMBL3126749 0.72 ALK (0.59) IRAK4IRAK1JAK2KHKCYP1A2
Hydrochloric Acid SCHEMBL17764623 0.71 IRAK4 (0.98) IRAK4IRAK1CHRNB2CHRNA4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 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 (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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 IRAK4 995/4885IRAK1 733/4885JAK2 1740/4885

“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.