SCHEMBL13826661

SCHEMBL13826661

Cc1nc2ccc(C(=O)N3CCC(NC(C)C)CC3)cc2nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL16003043 0.88 HPGD (0.54) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL13826409 0.81 HPGD (0.54) HPGDALDH1A1MAPTSYKRAB9A
SCHEMBL16000504 0.81 HPGD (0.66) HPGDALDH1A1KDM4EHSD17B10SYK
SCHEMBL16000517 0.80 DPP4 (0.54) HPGDSYKRAB9A
SCHEMBL13826112 0.79 NPC1 (0.69) HPGDALDH1A1MAPTKDM4EHSD17B10
SCHEMBL13826473 0.77 CYP3A4 (0.57) ALDH1A1KDM4EHSD17B10GAATLR9
SCHEMBL13825971 0.77 SYK (0.52) HPGDSYKTLR9TLR8TLR7
SCHEMBL8312812 0.76 MGLL (0.55) HPGDALDH1A1L3MBTL3L3MBTL1
SCHEMBL16000515 0.76 L3MBTL3 (0.52) HPGDALDH1A1L3MBTL3L3MBTL1
SCHEMBL13826410 0.76 GHSR (0.56) HPGDALDH1A1MAPTKDM4EHSD17B10

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-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 — — US disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 — — 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK HPGD 829/4885ALDH1A1 1515/4885MAPT 4391/4885

“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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