SCHEMBL3066971

SCHEMBL3066971

C[C@@H]1CN(c2cc(F)c(C#Cc3ncccn3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP30 Q70CQ3 3/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL3070501 0.84 KDM4E (0.42) KDM4EHTTKMT2ATDP1PDE3B
SCHEMBL3057167 0.83 KDM4E (0.41) KDM4EHTTKMT2ATDP1PDE3B
SCHEMBL3068291 0.83 KDM4E (0.44) KDM4EHTTKMT2ATDP1PDE3B
SCHEMBL3069860 0.83 HTT (0.44) KDM4EHTTKMT2ATDP1PDE3B
SCHEMBL3067923 0.83 KDM4E (0.39) KDM4EHTTGAAALDH1A1MAPT
SCHEMBL3068016 0.83 ERN1 (0.40) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3062681 0.80 KDM4E (0.42) KDM4EHTTKMT2ATDP1PDE3B
SCHEMBL3052119 0.80 ERN1 (0.37) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3066951 0.79 KDM4E (0.37) KDM4EHTTPDE3BPDE3AGAA
SCHEMBL3068282 0.79 KDM4E (0.39) KDM4EHTTPDE3BPDE3AGAA

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 2271/4885KMT2A 1391/4885

“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.