SCHEMBL29313309

SCHEMBL29313309

Cn1nccc(C#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM5A P29375 1/20 0.36
POLB P06746 1/20 0.34
USP7 Q93009 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL27254195 0.76 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL1997702 0.70
SCHEMBL8340628 0.70
SCHEMBL29314354 0.69 ELANE (0.39) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL1230750 0.68
SCHEMBL21224663 0.68
SCHEMBL3716286 0.68
SCHEMBL29766487 0.68
SCHEMBL30950521 0.68
SCHEMBL25022461 0.67 SCN9A (0.42) KDM4EALDH1A1HPGDUSP7MAPT

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 KDM4E 3520/4885ALDH1A1 3112/4885GAA 920/4885

“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.