SCHEMBL21060280

SCHEMBL21060280

Cc1cc2[nH]cc(Br)c2nc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.34
NOTUM Q6P988 3/20 0.33
EGLN1 Q9GZT9 2/20 0.32
EPRS1 P07814 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CCNT1 O60563 1/20 0.32
PIM1 P11309 1/20 0.32
CDK9 P50750 1/20 0.32
HASPIN Q8TF76 1/20 0.32
HCAR2 Q8TDS4 3/20 0.32
DAO P14920 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
PRNP P04156 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
NCOA2 Q15596 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32

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
SCHEMBL21060003 0.84 NR4A2 (0.40) HTTNPSR1ALPL
SCHEMBL30675211 0.84 NR4A2 (0.40) HTTNPSR1ALPL
SCHEMBL15742589 0.71 HCAR2 (0.37) EGLN1EPRS1HCAR2RXFP1PRNP
SCHEMBL22889987 0.71 RXFP1 (0.40) APOBEC3ACTDSP1APOBEC3GRXFP1HTT
SCHEMBL31518690 0.69 ALDH1A1 (0.43) HCAR2DAO
SCHEMBL17607619 0.68 ALDH1A1 (0.46) KMOHCAR2DAORXFP1
SCHEMBL13386987 0.68 HCAR2 (0.41) NOTUMEGLN1HCAR2
SCHEMBL21060383 0.68 KMO (0.44) KMOALPLCA9
SCHEMBL20187684 0.67 MAPK1 (0.37)
Hydrochloric Acid SCHEMBL13386995 0.67 HCAR2 (0.40) NOTUMEGLN1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN disclosed
EP-3728252-B1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-08-09 EP disclosed
US-11053244-B1 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
EP-3728252-A1 4-AZAINDOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
CN-111819176-A 4-azaindole compounds 百时美施贵宝公司 2020-10-23 CN disclosed
US-10730877-B2 4-Azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20200095247-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-03-26 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 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 (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-11053244-B1 4-azaindole compounds TLR7, TLR9, TLR5 KMO 759/4885NOTUM 4211/4885EGLN1 2855/4885
US-10730877-B2 4-Azaindole compounds TLR7, TLR9, TLR5 KMO 759/4885NOTUM 4211/4885EGLN1 2855/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KMO 759/4885NOTUM 4211/4885EGLN1 2855/4885
US-20200095247-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KMO 759/4885NOTUM 4211/4885EGLN1 2855/4885

“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.