SCHEMBL21264073

SCHEMBL21264073

CC(=N)c1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTR7 P34969 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
CTSA P10619 1/20 0.33
CTH P32929 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 2/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 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
SCHEMBL6673583 0.84 KDM4E (0.46) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL30041316 0.78 GRM5 (0.51) GRM5ALDH1A1HPGDKDM4EALOX15
SCHEMBL30614436 0.78 ALDH1A1 (0.41) GRM5ALDH1A1HPGDKDM4EALOX15
SCHEMBL31543348 0.78 GRM5 (0.44) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL531659 0.78 GRM5 (0.44) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL6744 0.78 GRM5 (0.51) GRM5ALDH1A1HPGDKDM4EALOX15
SCHEMBL14732991 0.78 ALDH1A1 (0.41) GRM5ALDH1A1HPGDKDM4EALOX15
Hydrochloric Acid SCHEMBL2728960 0.77 ALDH1A1 (0.40) GRM5ALDH1A1HPGDRECQL
SCHEMBL3507575 0.77 GRM5 (0.42) GRM5ALDH1A1HPGDHTR7KDM4E
SCHEMBL3507580 0.77 GRM5 (0.42) GRM5ALDH1A1HPGDHTR7KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 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 (2 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-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 GRM5 2438/4885ALDH1A1 3110/4885HPGD 4619/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 GRM5 2438/4885ALDH1A1 3110/4885HPGD 4619/4885

“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.