SCHEMBL23768196

SCHEMBL23768196

CCCC(C)(C)Nc1cc(COC)ncn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL21016504 0.88 ALDH1A1 (0.35) ALDH1A1BLML3MBTL1
SCHEMBL21016699 0.86 ALDH1A1 (0.33) ALDH1A1BLML3MBTL1
SCHEMBL21016503 0.83 MEN1 (0.33) ALDH1A1BLML3MBTL1
SCHEMBL23768193 0.78 PKM (0.31) —
SCHEMBL16840699 0.74 CYP1A2 (0.38) ALDH1A1BLML3MBTL1
SCHEMBL5889042 0.69 AAK1 (0.41) ALDH1A1L3MBTL1
SCHEMBL25986789 0.68 HRH4 (0.34) ALDH1A1BLML3MBTL1
SCHEMBL5889118 0.68 L3MBTL1 (0.44) ALDH1A1BLML3MBTL1
SCHEMBL19530469 0.67 KDM4E (0.35) —
SCHEMBL16841158 0.64 PKM (0.36) ALDH1A1

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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 — — 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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 ALDH1A1 4424/4885BLM 3427/4885L3MBTL1 3943/4885

“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.

Send feedback