SCHEMBL3068291

SCHEMBL3068291

C[C@@H]1CN(c2cc(F)c(C#Cc3cnccn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
USP30 Q70CQ3 2/20 0.33
MAPT P10636 2/20 0.32
GSK3B P49841 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
WDR5 P61964 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
SCHEMBL3070258 0.84 KDM4E (0.39) KDM4EHTTMAPTTDP1RAB9A
SCHEMBL3066971 0.83 KDM4E (0.44) KDM4EHTTUSP30MAPTPDE3B
SCHEMBL3068016 0.83 ERN1 (0.40) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL2213166 0.83 KDM4E (0.36) KDM4EHTTMAPTTDP1GAA
SCHEMBL3070501 0.81 KDM4E (0.42) KDM4EHTTUSP30MAPTPDE3B
SCHEMBL3062271 0.80 KDM4E (0.39) KDM4EHTTUSP30MAPTTDP1
SCHEMBL3057167 0.80 KDM4E (0.41) KDM4EHTTUSP30PDE3BPDE3A
SCHEMBL3069860 0.80 HTT (0.44) KDM4EHTTUSP30MAPTPDE3B
SCHEMBL3066951 0.80 KDM4E (0.37) KDM4EHTTUSP30PDE3BPDE3A
SCHEMBL4508054 0.79 KDM4E (0.47) KDM4EHTTUSP30MAPTGSK3B

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 2271/4885USP30 4084/4885

“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.