SCHEMBL17440948

SCHEMBL17440948

COCCCC(=O)c1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
GRM5 P41594 1/20 0.43
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CTSA P10619 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4841384 0.91 ALDH1A1 (0.47) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL4835374 0.83 ALDH1A1 (0.44) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL21264139 0.82 HPGD (0.38) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL15988712 0.82 ALDH1A1 (0.51) ALDH1A1HPGDGRM5DAGLAKMT2A
SCHEMBL19125530 0.81 ALDH1A1 (0.36) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL19124692 0.81 ALDH1A1 (0.49) ALDH1A1HPGDGRM5DAGLAKMT2A
SCHEMBL1555147 0.81 HPGD (0.45) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL29316552 0.80 MEN1 (0.51) ALDH1A1DAGLAKMT2AMEN1HTT
SCHEMBL17449370 0.79 HPGD (0.46) ALDH1A1HPGDGRM5CHRNB2CHRNA4
SCHEMBL10127509 0.78 ALDH1A1 (0.40) ALDH1A1HPGDGRM5CHRNB2CHRNA4

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 11 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-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
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO 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 (4 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-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885GRM5 2209/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885GRM5 2209/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885GRM5 2438/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885GRM5 2438/4885

“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.