SCHEMBL24958910

SCHEMBL24958910

CC(C)c1ccc(-n2cc(C3CC3)nn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
ROCK2 O75116 2/20 0.40
GSK3B P49841 2/20 0.40
MIF P14174 1/20 0.39
IRAK4 Q9NWZ3 6/20 0.38
USP1 O94782 2/20 0.38
EGLN1 Q9GZT9 2/20 0.37
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
CYP19A1 P11511 2/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
ACACB O00763 1/20 0.34
CHRNA7 P36544 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
SCHEMBL24958714 0.89 JAK2 (0.38) JAK2ROCK2GSK3BMIFIRAK4
SCHEMBL19105581 0.81 OPRM1 (0.41) JAK2ROCK2GSK3BMIFIRAK4
SCHEMBL25825571 0.78 EGLN2 (0.46) EGLN1ACACB
SCHEMBL24958753 0.74 RAB9A (0.48) MIF
SCHEMBL12197739 0.73 CHRNA7 (0.46) CHRNA7
SCHEMBL24958718 0.73 EGLN1 (0.35) EGLN1ACACB
SCHEMBL22862590 0.71 MIF (0.57) JAK2ROCK2GSK3BMIFUSP1
SCHEMBL22560233 0.71 USP1 (0.40) JAK2ROCK2GSK3BMIFUSP1
SCHEMBL20644392 0.69 OGA (0.41) EGLN1
SCHEMBL25045293 0.68 MIF (0.56) JAK2ROCK2GSK3BMIFCA9

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 JAK2 1740/4885ROCK2 1674/4885GSK3B 513/4885

“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.