Sugi Predict

Sugi Predict / Compounds / SCHEMBL4409945

SCHEMBL4409945

SCHEMBL4409945

COc1ccc(-c2cnc(C(=O)N3CCC(N4CCCC4)CC3)c(C)c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ BRAF P15056 2/20 0.43
▸ UGCG Q16739 1/20 0.42
▸ ALK Q9UM73 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ TLR9 Q9NR96 2/20 0.40
▸ TLR8 Q9NR97 2/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ MET P08581 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL1424275 0.90 TLR9 (0.44) L3MBTL3L3MBTL1BRAFUGCGALK
SCHEMBL4406513 0.88 GRIN2B (0.49) L3MBTL3L3MBTL1ALKMETMEN1
SCHEMBL1421305 0.85 L3MBTL3 (0.42) L3MBTL3L3MBTL1TLR9TLR8TLR7
SCHEMBL1420774 0.81 L3MBTL3 (0.46) L3MBTL3L3MBTL1ALKMEN1KMT2A
SCHEMBL1421384 0.81 GRIN2B (0.52) L3MBTL3L3MBTL1
SCHEMBL4409706 0.80 GRIN2B (0.54) L3MBTL3L3MBTL1
SCHEMBL1420727 0.79 GRIN2B (0.48) L3MBTL3L3MBTL1
SCHEMBL1420779 0.79 L3MBTL3 (0.49) L3MBTL3L3MBTL1METALDH1A1LRRK2
SCHEMBL1420729 0.78 L3MBTL1 (0.46) L3MBTL3L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL1423840 0.78 GRIN2B (0.49) ALKMETPIK3CAMTOR

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-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 — — US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 — — US disclosed
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 — — US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 — — US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 — — US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 — — US disclosed
WO-2009153182-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — 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 (1 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-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES CCR3, CCR2, CCR1 L3MBTL3 2613/4885L3MBTL1 3453/4885BRAF 2494/4885

“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.