SCHEMBL16164628

SCHEMBL16164628

C[C@H](NC(=O)O)[C@H](Nc1nc(Nc2cccc3ncccc23)c(C#N)cc1F)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.35
▸ PDE4B Q07343 4/20 0.35
▸ PDE4D Q08499 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ULK1 O75385 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ P2RX7 Q99572 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ RUNX1 Q01196 1/20 0.34
▸ CBFB Q13951 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
SCHEMBL16164629 1.00 SYK (0.35) SYKPDE4BPDE4DJAK2JAK1
SCHEMBL16170812 0.90 TRPA1 (0.36) SYKPDE4BP2RX7CYP3A4
SCHEMBL16164405 0.87 SYK (0.46) SYKPDE4BULK1MEN1KMT2A
SCHEMBL16164406 0.87 SYK (0.46) SYKPDE4BULK1MEN1KMT2A
SCHEMBL16165367 0.82 NPC1 (0.38) SYKJAK2JAK1ULK1MEN1
SCHEMBL16165364 0.82 NPC1 (0.38) SYKJAK2JAK1ULK1MEN1
SCHEMBL16164089 0.81 FER (0.48) SYKJAK2JAK3MAPT
SCHEMBL16164087 0.81 FER (0.48) SYKJAK2JAK3MAPT
SCHEMBL16164862 0.80 JAK2 (0.43) JAK2JAK1JAK3ALDH1A1MAPT
SCHEMBL16164861 0.80 JAK2 (0.43) JAK2JAK1JAK3ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 — — EP disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 — — EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — 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 (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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 SYK 1/4885PDE4B 307/4885PDE4D 416/4885

“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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