SCHEMBL3073344

SCHEMBL3073344

C[C@@H]1CN(c2c(C=O)cc(C#Cc3cccnc3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
GRM4 Q14833 7/20 0.37
GRM5 P41594 5/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
FGFR4 P22455 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ATR Q13535 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
SCHEMBL3069763 0.86 ERN1 (0.46) ERN1GRM4GRM5KDM4EHTT
SCHEMBL3068016 0.84 ERN1 (0.40) ERN1GRM4GRM5KDM4EHTT
SCHEMBL3070258 0.83 KDM4E (0.39) KDM4EHTT
SCHEMBL3067923 0.83 KDM4E (0.39) KDM4EHTT
SCHEMBL3052347 0.80 KDM4E (0.37) KDM4EHTT
SCHEMBL3052401 0.79 KDM4E (0.32) KDM4EHTT
SCHEMBL3062348 0.79 ERN1 (0.38) ERN1KDM4EHTT
SCHEMBL3066942 0.77 KDM4E (0.37) KDM4EHTT
SCHEMBL3062297 0.77 HTT (0.39) KDM4EHTT
SCHEMBL3058043 0.77 KDM4E (0.37) KDM4EHTT

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 ERN1 1745/4885GRM4 2279/4885GRM5 2344/4885

“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.