SCHEMBL21060155

SCHEMBL21060155

COC(=O)c1nc2cc[nH]c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ ALPL P05186 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL30675159 1.00 KDM4E (0.41) KDM4ESTAT3HIF1ANPSR1ALDH1A1
SCHEMBL20552180 0.84 MMP2 (0.40) KDM4ESTAT3HIF1ANPSR1ALDH1A1
SCHEMBL21060383 0.83 KMO (0.44) KDM4EALDH1A1LMNAPIK3C3HPGD
SCHEMBL24005756 0.78 CDK8 (0.47) KDM4ESTAT3HIF1ANPSR1ALDH1A1
SCHEMBL5925834 0.75 NPSR1 (0.42) KDM4ESTAT3HIF1ANPSR1ALDH1A1
SCHEMBL2671386 0.74 PIK3C3 (0.47) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL29550479 0.73 MAPK1 (0.41) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL756526 0.73 MAPK1 (0.41) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL8905796 0.73 TDP1 (0.47) KDM4ESTAT3NPSR1ALDH1A1HTT
SCHEMBL8832261 0.72 KDM4E (0.54) KDM4ENPSR1ALDH1A1HPGDATM

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 19 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
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 — — US 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
EP-3728252-B1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-08-09 — — EP disclosed
US-20220340555-A1 4-AZAINDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-27 — — US disclosed
US-11053244-B1 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US 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-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-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-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
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 (7 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 KDM4E 1790/4885STAT3 242/4885HIF1A 4148/4885
US-20220340555-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KDM4E 1790/4885STAT3 242/4885HIF1A 4148/4885
US-11053244-B1 4-azaindole compounds TLR7, TLR9, TLR5 KDM4E 1790/4885STAT3 242/4885HIF1A 4148/4885
US-10544143-B2 4-azaindole compounds TLR7, TLR9, TLR5 KDM4E 1790/4885STAT3 242/4885HIF1A 4148/4885
US-10730877-B2 4-Azaindole compounds TLR7, TLR9, TLR5 KDM4E 1790/4885STAT3 242/4885HIF1A 4148/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KDM4E 1790/4885STAT3 242/4885HIF1A 4148/4885
US-20200095247-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 KDM4E 1790/4885STAT3 242/4885HIF1A 4148/4885

“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.

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