SCHEMBL21060433

SCHEMBL21060433

CC(C)c1cn(C(=O)O)c2ccc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
PTGER1 P34995 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGER4 P35408 1/20 0.34
HTR6 P50406 1/20 0.33
MAPT P10636 2/20 0.32
FABP4 P15090 1/20 0.32
PIK3CA P42336 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
KMO O15229 2/20 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
SCHEMBL21060112 0.83 SMN1; SMN2 (0.32) PTGER1SMN1; SMN2FABP4
SCHEMBL21060471 0.82 HSP90AA1 (0.40) LMNAPTGER1HTR6MAPTPIK3CA
SCHEMBL29897152 0.82 HSP90AA1 (0.40) LMNAPTGER1HTR6MAPTPIK3CA
SCHEMBL16593445 0.78 PTGER4 (0.36) SMN1; SMN2PTGER4HTR6HTT
SCHEMBL29897163 0.73 ELANE (0.44) SMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL29433116 0.69 KDM4E (0.43) MAPTALDH1A1HTT
SCHEMBL24680131 0.68 L3MBTL1 (0.39) SMN1; SMN2MAPTFABP4PIK3CAALDH1A1
SCHEMBL23809294 0.68 KDM4E (0.37) MAPTL3MBTL1
SCHEMBL1564741 0.67 MAOB (0.38) SMN1; SMN2PTGER4HDAC8ALDH1A1L3MBTL1
SCHEMBL24742304 0.67 KMT2A (0.39) LMNAPTGER4HTR6MAPTALDH1A1

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 9 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
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US 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
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-10544143-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 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 (6 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 LMNA 3331/4885PTGER1 171/4885SMN1; SMN2 4225/4885
US-11053244-B1 4-azaindole compounds TLR7, TLR9, TLR5 LMNA 3331/4885PTGER1 171/4885SMN1; SMN2 4225/4885
US-10544143-B2 4-azaindole compounds TLR7, TLR9, TLR5 LMNA 3331/4885PTGER1 171/4885SMN1; SMN2 4225/4885
US-10730877-B2 4-Azaindole compounds TLR7, TLR9, TLR5 LMNA 3331/4885PTGER1 171/4885SMN1; SMN2 4225/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 LMNA 3331/4885PTGER1 171/4885SMN1; SMN2 4225/4885
US-20200095247-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 LMNA 3331/4885PTGER1 171/4885SMN1; SMN2 4225/4885

“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.