SCHEMBL17545832

SCHEMBL17545832

Cc1ccc(S(=O)(=O)n2ccc3c(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)ncnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.49
▸ HTR6 P50406 3/20 0.46
▸ BCHE P06276 1/20 0.46
▸ PIK3CD O00329 2/20 0.45
▸ PIK3CA P42336 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ ADORA1 P30542 1/20 0.42
▸ JAK3 P52333 6/20 0.42
▸ JAK1 P23458 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ IRAK4 Q9NWZ3 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
SCHEMBL2728373 1.00 GPR119 (0.49) GPR119HTR6BCHEPIK3CDPIK3CA
SCHEMBL6128886 1.00 GPR119 (0.49) GPR119HTR6BCHEPIK3CDPIK3CA
SCHEMBL17527469 0.98 GPR119 (0.49) GPR119HTR6BCHEPIK3CDPIK3CA
SCHEMBL10228635 0.95 GPR119 (0.55) GPR119HTR6BCHEPIK3CDPIK3CA
SCHEMBL6128795 0.95 GPR119 (0.55) GPR119HTR6BCHEPIK3CDPIK3CA
SCHEMBL10227674 0.92 GPR119 (0.49) GPR119HTR6BCHEPIK3CDPIK3CA
SCHEMBL17583115 0.90 GPR119 (0.60) GPR119HTR6PIK3CDPIK3CABTK
SCHEMBL2728178 0.88 JAK3 (0.43) JAK3JAK1
SCHEMBL1019746 0.87 HTR6 (0.43) GPR119HTR6BCHEBTKJAK1
SCHEMBL22496878 0.87 HTR6 (0.43) GPR119HTR6BCHEBTKJAK1

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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 — — US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 — — 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK GPR119 4073/4885HTR6 3831/4885BCHE 3628/4885

“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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