SCHEMBL2318669

SCHEMBL2318669

COC(=O)c1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)cn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C9 P11712 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CYP3A4 P08684 3/20 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
SCHEMBL2317234 0.94 SCN9A (0.40) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2319582 0.87 EED (0.39) KMT2ASMN1; SMN2KDM4E
SCHEMBL1932988 0.87 PCSK9 (0.35) ALDH1A1LMNAHPGDSCN9APTGDR2
SCHEMBL2315327 0.85 LMNA (0.43) ALDH1A1LMNAKDM4EPTGDR2PCSK9
SCHEMBL1933394 0.85 PCSK9 (0.34) LMNAPTGDR2PCSK9
SCHEMBL2319229 0.83 LATS1 (0.35) GAASCN9APTGDR2PCSK9
SCHEMBL2315168 0.82 EED (0.32) ALDH1A1LMNACYP3A4PCSK9
SCHEMBL3103172 0.81 PTGDR2 (0.42) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2318419 0.80 EED (0.37) PTGDR2
SCHEMBL16244938 0.80 PTGDR2 (0.42) PTGDR2PCSK9

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 11 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-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-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-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
CN-102711470-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 — — CN disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — 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 ALDH1A1 305/4885LMNA 2396/4885MEN1 1028/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ALDH1A1 305/4885LMNA 2396/4885MEN1 1028/4885

“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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