SCHEMBL24958864

SCHEMBL24958864

CC(C)c1ccc(-c2cn([C@H]3CCOC3)nn2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
SOST Q9BQB4 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MET P08581 2/20 0.38
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
DPP4 P27487 1/20 0.35
LGALS3 P17931 3/20 0.35
LGALS1 P09382 2/20 0.35
CHRNB2 P17787 6/20 0.35
CHRNB4 P30926 6/20 0.35
CHRNA3 P32297 6/20 0.35
CHRNA7 P36544 6/20 0.35
CHRNA4 P43681 6/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL24958866 1.00 BRD4 (0.40) BRD4CREBBPSOSTIRAK4MET
SCHEMBL24958697 0.93 LGALS3 (0.38) IRAK4METDPP4LGALS3LGALS1
SCHEMBL24958695 0.92 DPP4 (0.37) BRD4CREBBPIRAK4METDPP4
SCHEMBL24958717 0.88 CHRNB2 (0.39) METDPP4LGALS3LGALS1CHRNB2
SCHEMBL24958698 0.83 CHRNB2 (0.38) IRAK4METDPP4LGALS3LGALS1
SCHEMBL24958696 0.83 SOST (0.43) BRD4CREBBPSOSTIRAK4MET
SCHEMBL29848152 0.74 LGALS3 (0.51) LGALS3LGALS1
SCHEMBL24958699 0.74 IRAK4 (0.41) IRAK4METJAK2NTRK1DPP4
SCHEMBL24958694 0.74 ABL1 (0.39) IRAK4DPP4
SCHEMBL17806601 0.73 GSK3B (0.41) BRD4CREBBPDPP4

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 BRD4 1246/4885CREBBP 375/4885SOST 1609/4885

“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.