SCHEMBL2317026

SCHEMBL2317026

CCc1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ APOBEC3G Q9HC16 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL16245234 0.91 NR1H3 (0.36) ALDH1A1NPSR1
SCHEMBL2318721 0.82 MTOR (0.34) GAANPC1
SCHEMBL2317311 0.81 EED (0.34) LMNA
SCHEMBL2318609 0.80 MAPT (0.41) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL16245000 0.80 PTGDR2 (0.32) ALDH1A1GAAMEN1KMT2ANPSR1
SCHEMBL2317810 0.78 ALDH1A1 (0.36) KDM4ELMNAALDH1A1GAARXFP1
SCHEMBL1932784 0.78 PTGDR2 (0.34) KDM4ELMNAALDH1A1GAANPC1
SCHEMBL16245259 0.77 PIK3CA (0.37) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL2315337 0.77 PCSK9 (0.35) ALDH1A1GAAMEN1KMT2ANPSR1
SCHEMBL16245174 0.76 MAPK8 (0.44) ALDH1A1GAASMN1; SMN2CA12CA9

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 KDM4E 3487/4885LMNA 2396/4885ALDH1A1 305/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 KDM4E 3487/4885LMNA 2396/4885ALDH1A1 305/4885

“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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