SCHEMBL2315191

SCHEMBL2315191

COc1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)cn2C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
EED O75530 1/20 0.39
HTR6 P50406 12/20 0.37
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 3/20 0.33
HTR7 P34969 2/20 0.33
DRD2 P14416 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2319582 0.90 EED (0.39) EEDHTR6KMT2ASMN1; SMN2KDM4E
SCHEMBL12444978 0.89 EED (0.38) EEDHTR6KMT2ASMN1; SMN2KDM4E
SCHEMBL2317803 0.89 PCSK9 (0.38) EEDKDM4EGAAHTT
SCHEMBL2318419 0.87 EED (0.37) EEDHTR6HTR2AHTR7DRD2
SCHEMBL1932729 0.86 EED (0.38) EEDHTR6KDM4E
SCHEMBL12389580 0.85 PDE4B (0.41) PDE4BPDE4DEEDHTR6KDM4E
SCHEMBL2316906 0.85 HTR6 (0.45) EEDHTR6HTR7DRD2
SCHEMBL2318789 0.85 PSEN1 (0.38) PDE4BPDE4DEEDHTR6
SCHEMBL1934825 0.84 EED (0.36) EEDHTR6KDM4EHTR2ADRD2
SCHEMBL1932996 0.84 HTR6 (0.36) EEDHTR6KMT2ASMN1; SMN2

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 PDE4B 3141/4885PDE4D 3416/4885EED 3161/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PDE4B 3141/4885PDE4D 3416/4885EED 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.