SCHEMBL2318455

SCHEMBL2318455

Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4nccnc34)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 3/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16244938 0.89 PTGDR2 (0.42) PTGDR2BRD4LATS1L3MBTL1PCSK9
SCHEMBL2319229 0.84 LATS1 (0.35) PTGDR2BRD4LATS1L3MBTL1PCSK9
SCHEMBL2315168 0.83 EED (0.32) BRD4LMNAPCSK9ALDH1A1
SCHEMBL2314750 0.83 PTGS1 (0.37) PTGDR2BRD4LATS1L3MBTL1LMNA
SCHEMBL2315327 0.82 LMNA (0.43) PTGDR2BRD4LMNAPCSK9KDM4E
SCHEMBL1932988 0.82 PCSK9 (0.35) PTGDR2BRD4LMNAPCSK9ALDH1A1
SCHEMBL2320310 0.81 LATS1 (0.37) PTGDR2LATS1L3MBTL1LMNAKDM4E
SCHEMBL2319582 0.81 EED (0.39) KDM4ESMN1; SMN2
SCHEMBL1933394 0.80 PCSK9 (0.34) PTGDR2BRD4LMNAPCSK9
SCHEMBL2319888 0.80 PTPN11 (0.34) PTGDR2LATS1L3MBTL1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — 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 (2 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 PTGDR2 237/4885BRD4 1047/4885LATS1 3397/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PTGDR2 237/4885BRD4 1047/4885LATS1 3397/4885

“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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