SCHEMBL26072343

SCHEMBL26072343

Cc1nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.43
▸ SYK P43405 4/20 0.40
▸ ALK Q9UM73 2/20 0.39
▸ JAK2 O60674 4/20 0.38
▸ JAK3 P52333 4/20 0.38
▸ PTK2 Q05397 4/20 0.38
▸ MAP4K1 Q92918 1/20 0.38
▸ FYN P06241 2/20 0.38
▸ KHK P50053 1/20 0.37
▸ OGA O60502 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 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
SCHEMBL29395874 1.00 HRH3 (0.43) HRH3SYKALKJAK2JAK3
SCHEMBL29396209 0.91 JAK2 (0.42) HRH3SYKALKJAK2JAK3
SCHEMBL26072319 0.91 JAK2 (0.42) HRH3SYKALKJAK2JAK3
SCHEMBL26071969 0.91 VCP (0.41) JAK2JAK3PTK2KHK
SCHEMBL26072002 0.90 HRH3 (0.41) HRH3SYKALKFYNKHK
SCHEMBL26072240 0.90 HRH3 (0.41) HRH3SYKALKJAK2JAK3
SCHEMBL29393833 0.90 HRH3 (0.41) HRH3SYKALKFYNKHK
SCHEMBL29393670 0.88 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1RAD52
SCHEMBL26071977 0.88 HRH3 (0.41) HRH3SYKALKJAK2JAK3
SCHEMBL26072112 0.88 MAP4K1 (0.38) JAK2JAK3PTK2MAP4K1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH3 574/4885SYK 162/4885ALK 213/4885

“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