SCHEMBL3061579

SCHEMBL3061579

C[C@@H]1CN(c2c(F)cc(C#Cc3ncccn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SCN9A Q15858 1/20 0.33
GRM4 Q14833 7/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ERN1 O75460 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
USP30 Q70CQ3 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL3069763 0.84 ERN1 (0.46) KDM4EHTTGRM4ERN1
SCHEMBL3070590 0.84 KDM4E (0.37) KDM4EHTTGAAMAPTRAB9A
SCHEMBL3062291 0.83 KDM4E (0.37) KDM4EHTTUSP30
SCHEMBL3065450 0.83 HTT (0.39) KDM4EHTTGRM4MAPTALDH1A1
SCHEMBL3065398 0.83 HTT (0.39) KDM4EHTTGRM4MAPTALDH1A1
SCHEMBL3062271 0.83 KDM4E (0.39) KDM4EHTTGRM4MAPTRAB9A
SCHEMBL3067923 0.83 KDM4E (0.39) KDM4EHTTSCN9AGAAMAPT
SCHEMBL3066876 0.80 KDM4E (0.36) KDM4EHTTGAAMAPTALDH1A1
SCHEMBL15609918 0.80 ALDH1A1 (0.38) KDM4EHTTGAAMAPTALDH1A1
SCHEMBL3057172 0.80 ERN1 (0.46) KDM4EHTTGRM4GAAMAPT

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 KDM4E 4486/4885HTT 2271/4885SCN9A 877/4885

“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.