SCHEMBL22613358

SCHEMBL22613358

Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCN(Cc5ccccc5)C4)c(Br)cnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ HTR6 P50406 2/20 0.46
▸ ROCK2 O75116 4/20 0.44
▸ KAT2B Q92831 5/20 0.43
▸ JAK2 O60674 3/20 0.43
▸ JAK3 P52333 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CD4 P01730 2/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ CCR2 P41597 1/20 0.40

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
SCHEMBL22613357 1.00 OPRM1 (0.47) OPRM1OPRK1HTR6ROCK2KAT2B
SCHEMBL10281505 0.84 JAK2 (0.48) HTR6ROCK2KAT2BJAK2JAK3
SCHEMBL22613440 0.83 MAPK1 (0.40) JAK2JAK3ALDH1A1LMNATSHR
SCHEMBL22613437 0.83 MAPK1 (0.40) JAK2JAK3ALDH1A1LMNATSHR
SCHEMBL2270606 0.83 JAK2 (0.44) OPRM1OPRK1HTR6ROCK2KAT2B
SCHEMBL2270617 0.83 JAK2 (0.44) OPRM1OPRK1HTR6ROCK2KAT2B
SCHEMBL2281454 0.79 HTR6 (0.50) HTR6ROCK2JAK2JAK3ROCK1
SCHEMBL2226200 0.79 HTR6 (0.50) HTR6ROCK2JAK2JAK3ROCK1
SCHEMBL29855198 0.78 HTR6 (0.44) HTR6JAK2LMNABCHEJAK1
SCHEMBL22627232 0.78 JAK2 (0.46) ROCK2KAT2BJAK2JAK3ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372034-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2022-11-24 — — US disclosed
US-11420966-B2 Substituted pyrrolopyridines as JAK inhibitors ACLARIS THERAPEUTICS, INC. 2022-08-23 — — US disclosed
CN-113727975-A Substituted pyrrolopyridines as JAK inhibitors 阿克拉瑞斯治疗股份有限公司 2021-11-30 — — CN disclosed
US-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-11-05 — — US disclosed
WO-2020223728-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-11-05 — — 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 (3 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-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 OPRM1 3341/4885OPRK1 1308/4885HTR6 4343/4885
US-20220372034-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 OPRM1 3341/4885OPRK1 1308/4885HTR6 4343/4885
US-11420966-B2 Substituted pyrrolopyridines as JAK inhibitors JAK1, JAK3, JAK2 OPRM1 3341/4885OPRK1 1308/4885HTR6 4343/4885

“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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