SCHEMBL31029554

SCHEMBL31029554

CC(C)(C)OC(=O)N1CC2(CCN(c3ncnc4ccc(Br)cc34)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.52
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KIT P10721 3/20 0.47
PDGFRB P09619 3/20 0.47
CYP11B2 P19099 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
PDGFRA P16234 2/20 0.43
FLT3 P36888 1/20 0.43
JAK3 P52333 2/20 0.42
MTNR1B P49286 2/20 0.41
MAP4K4 O95819 1/20 0.41
SCD5 Q86SK9 1/20 0.41
PIK3CD O00329 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
GPR183 P32249 1/20 0.40

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
SCHEMBL30902102 1.00 HTT (0.52) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL30902204 0.95 HTT (0.48) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL30902146 0.95 HTT (0.48) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL25422069 0.92 HTT (0.49) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL30405762 0.92 HTT (0.49) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL30734201 0.91 HTT (0.48) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL2798395 0.88 HTT (0.61) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL30902259 0.88 HTT (0.61) HTTALDH1A1NPSR1KITPDGFRB
SCHEMBL19032194 0.84 KIT (0.44) KITPDGFRBCYP11B2IRAK4PDGFRA
SCHEMBL20771320 0.83 ACHE (0.59) KITPDGFRBPDGFRAFLT3ACHE

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-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
EP-4406948-A1 PYRIDINE DERIVATIVE AND USE THEREOF Sichuan Huiyu Pharmaceutical Co., Ltd. (CN) 2024-07-31 EP 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-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF KRAS, NRAS, BRAF HTT 4112/4885ALDH1A1 2966/4885NPSR1 4872/4885

“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.