SCHEMBL26072098

SCHEMBL26072098

CC(C)N1CCN(c2ccc(-c3cc4c(cc(-c5ccc(S(C)(=O)=O)cc5)n4C)c(N4CCOCC4)n3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.41
▸ JAK3 P52333 4/20 0.41
▸ PTK2 Q05397 4/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ SYK P43405 6/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALK Q9UM73 2/20 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
SCHEMBL26071973 0.89 PIK3CA (0.42) JAK2JAK3PTK2HRH3PIK3CA
SCHEMBL29395874 0.87 HRH3 (0.43) JAK2JAK3PTK2HRH3SYK
SCHEMBL26072343 0.87 HRH3 (0.43) JAK2JAK3PTK2HRH3SYK
SCHEMBL26071977 0.84 HRH3 (0.41) JAK2JAK3PTK2HRH3PTGS2
SCHEMBL29396361 0.84 JAK2 (0.46) JAK2JAK3PTK2AKR1C3PTGS2
SCHEMBL26072407 0.84 JAK2 (0.46) JAK2JAK3PTK2AKR1C3PTGS2
SCHEMBL26072376 0.83 HRH3 (0.40) JAK2JAK3PTK2HRH3SYK
SCHEMBL26072733 0.80 FYN (0.44) JAK2JAK3PTK2HRH3SYK
SCHEMBL26072151 0.80 PIK3CA (0.45) JAK2JAK3PTK2PTGS2PIK3CA
SCHEMBL26071969 0.78 VCP (0.41) JAK2JAK3PTK2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4200298-B1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2025-05-21 — — EP claimed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN claimed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed
EP-4200298-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS Bristol-Myers Squibb Company (US) 2023-06-28 — — EP disclosed
CN-115867549-A 1H-pyrrolo [3,2-c ] pyridine and 1H-pyrrolo [2,3-c ] pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis 百时美施贵宝公司 2023-03-28 — — CN disclosed
WO-2022040267-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-24 — — 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 (1 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-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 JAK2 137/4885JAK3 240/4885PTK2 563/4885

“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.

Send feedback