SCHEMBL17527469

SCHEMBL17527469

Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCN(C(=O)OC(C)(C)C)C4)ncnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.49
▸ PIK3CD O00329 2/20 0.45
▸ PIK3CA P42336 1/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39

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 0.98 GPR119 (0.49) GPR119PIK3CDPIK3CAHTR6BCHE
SCHEMBL6128886 0.98 GPR119 (0.49) GPR119PIK3CDPIK3CAHTR6BCHE
SCHEMBL17545832 0.98 GPR119 (0.49) GPR119PIK3CDPIK3CAHTR6BCHE
SCHEMBL10228635 0.94 GPR119 (0.55) GPR119PIK3CDPIK3CAHTR6BCHE
SCHEMBL6128795 0.94 GPR119 (0.55) GPR119PIK3CDPIK3CAHTR6BCHE
SCHEMBL10227674 0.91 GPR119 (0.49) GPR119PIK3CDPIK3CAHTR6BCHE
SCHEMBL17583115 0.89 GPR119 (0.60) GPR119PIK3CDPIK3CAHTR6BTK
SCHEMBL17527475 0.88 TP53 (0.42) BTKADORA1JAK3LMNATP53
SCHEMBL2728178 0.86 JAK3 (0.43) JAK3LMNATP53
SCHEMBL22496878 0.85 HTR6 (0.43) GPR119HTR6BCHEBTKMMP1

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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 — — US disclosed
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
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 — — 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 4073/4885PIK3CD 108/4885PIK3CA 81/4885

“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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