SCHEMBL2315327

SCHEMBL2315327

Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(F)cc34)cc3c4c(cnc32)cnn4C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ EED O75530 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ GSK3B P49841 4/20 0.36
▸ AURKA O14965 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRKACA P17612 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
SCHEMBL1932988 0.90 PCSK9 (0.35) LMNAPTGDR2EEDNTRK1NTRK3
SCHEMBL2319582 0.88 EED (0.39) EEDHTR6GSK3BAURKAJAK2
SCHEMBL2319229 0.88 LATS1 (0.35) PTGDR2HTR6DYRK1BPCSK9BRD4
SCHEMBL1933394 0.87 PCSK9 (0.34) LMNAPTGDR2PCSK9BRD4
SCHEMBL2318669 0.85 ALDH1A1 (0.35) LMNAPTGDR2KDRPCSK9KDM4E
SCHEMBL16244938 0.84 PTGDR2 (0.42) PTGDR2GSK3BMETPIM1CDK9
SCHEMBL2315168 0.83 EED (0.32) LMNAEEDPIM1PCSK9ALDH1A1
SCHEMBL2318455 0.82 PTGDR2 (0.34) LMNAPTGDR2PCSK9KDM4EALDH1A1
SCHEMBL2315157 0.82 LMNA (0.37) LMNAPTGDR2HTR6KDRCLK4
SCHEMBL2314750 0.81 PTGS1 (0.37) LMNAPTGDR2ALDH1A1BRD4ALDH3A1

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 LMNA 2396/4885PTGDR2 237/4885EED 3161/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 LMNA 2396/4885PTGDR2 237/4885EED 3161/4885

“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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