SCHEMBL2318630

SCHEMBL2318630

CCc1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 10/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ HPGDS O60760 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL16245174 0.92 MAPK8 (0.44) CD274CA12CA1CA9ALDH1A1
SCHEMBL2321835 0.85 CA12 (0.42) CA12CA1CA9
SCHEMBL16245259 0.84 PIK3CA (0.37) HPGDALDH1A1
SCHEMBL2315139 0.78 MAPK8 (0.46) CD274HPGDSALDH1A1
SCHEMBL2318609 0.77 MAPT (0.41) ALDH1A1
SCHEMBL2318721 0.77 MTOR (0.34) —
SCHEMBL2316816 0.77 CD274 (0.54) CD274HPGDHPGDS
SCHEMBL2317810 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2316443 0.73 ESRRG (0.38) ALDH1A1
SCHEMBL2317311 0.73 EED (0.34) —

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 CD274 1610/4885CA12 1110/4885CA1 1495/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 CD274 1610/4885CA12 1110/4885CA1 1495/4885

“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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