SCHEMBL2322462

SCHEMBL2322462

CCc1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)[nH]c2ncc3cnn(C)c3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.51
▸ TLR8 Q9NR97 1/20 0.51
▸ TLR7 Q9NYK1 1/20 0.51
▸ MAP4K4 O95819 1/20 0.48
▸ CD274 Q9NZQ7 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ERN1 O75460 1/20 0.46
▸ MAPK8 P45983 3/20 0.46
▸ MAPK10 P53779 3/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ CAMK2D Q13557 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ STAMBP O95630 1/20 0.44

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
SCHEMBL2316816 0.91 CD274 (0.54) CD274POLBHPGDHPGDS
SCHEMBL2317241 0.88 CDK8 (0.41) TLR9TLR8TLR7ERN1POLB
SCHEMBL2319140 0.83 MAP4K4 (0.52) TLR9TLR8TLR7MAP4K4CD274
SCHEMBL12389831 0.81 IRAK4 (0.36) TLR9TLR8TLR7MAPK8CYP1A2
SCHEMBL16245174 0.78 MAPK8 (0.44) MAP4K4CD274CYP2C19CYP2C9ERN1
SCHEMBL2316235 0.75 PDE2A (0.38) TLR9TLR8TLR7
SCHEMBL2315139 0.72 MAPK8 (0.46) MAP4K4CD274CYP2C19CYP2C9ERN1
SCHEMBL2322025 0.70 POLB (0.45) CD274POLB
SCHEMBL2322451 0.70 APOBEC3G (0.43) HPGD
SCHEMBL2318518 0.70 POLB (0.49) CD274CYP2C19POLBCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
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
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — WO 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 TLR9 2754/4885TLR8 1001/4885TLR7 1858/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 TLR9 2754/4885TLR8 1001/4885TLR7 1858/4885

“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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