SCHEMBL25855693

SCHEMBL25855693

Nc1ccc(N2C[C@H]3CC[C@@H]2C3)nc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 15/20 0.50
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 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
SCHEMBL1108634 0.81 MAP3K12 (0.44) MAP3K12GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21861591 0.81 MAP3K12 (0.44) MAP3K12GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25190320 0.79 MAP3K12 (0.50) MAP3K12
SCHEMBL25191132 0.75 MAP3K12 (0.40) MAP3K12
SCHEMBL21262509 0.75 MAP3K12 (0.47) MAP3K12
SCHEMBL17076749 0.73 MAP3K12 (0.54) MAP3K12
SCHEMBL21672315 0.73 MAP3K12 (0.54) MAP3K12
SCHEMBL25188796 0.73 MAP3K12 (0.45) MAP3K12
SCHEMBL13690840 0.71 RET (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2391993 0.71 MAP3K12 (0.51) MAP3K12CHRNA7KCNH2HDAC1

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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP MAP3K12 1412/4885GRIN2D 3924/4885GRIN3B 759/4885

“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.