SCHEMBL25523013

SCHEMBL25523013

CCOC(=O)CN1CCS/C1=N/C#N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.42
▸ PDE4D Q08499 5/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 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
SCHEMBL9295951 0.80 MEN1 (0.45) PDE4BPDE4DTDP1KMT2AMEN1
SCHEMBL12635490 0.75 GSK3B (0.45) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL31714994 0.74 TSHR (0.57) TDP1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3735853 0.73 TSHR (0.63) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL13077554 0.73 TSHR (0.63) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3735855 0.73 TSHR (0.63) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL31714667 0.71 TSHR (0.39) TDP1KMT2APOLBKDM4EALDH1A1
SCHEMBL10573552 0.71 KMT2A (0.36) TDP1KMT2APOLBKDM4EALDH1A1
SCHEMBL27757617 0.67 ALDH1A1 (0.46) PDE4BPDE4DTDP1KMT2AMEN1
SCHEMBL25522503 0.65 ALDH1A1 (0.36) PDE4BPDE4DKMT2AMEN1ALDH1A1

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-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 — — US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 — — 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 PDE4B 1621/4885PDE4D 2206/4885TDP1 1470/4885

“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.

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