SCHEMBL16165367

SCHEMBL16165367

C[C@H](NC(=O)O)[C@@H](Nc1nc(Nc2ccc3ncccc3c2)c(C#N)cc1F)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SYK P43405 4/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ FER P16591 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ ULK1 O75385 1/20 0.35
▸ ULK2 Q8IYT8 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL16165364 1.00 NPC1 (0.38) NPC1POLBRAB9ASYKJAK2
SCHEMBL16169076 0.90 JAK2 (0.37) NPC1POLBRAB9ASYKJAK2
SCHEMBL16163838 0.87 FER (0.39) NPC1RAB9AJAK2JAK1FER
SCHEMBL16163839 0.87 FER (0.39) NPC1RAB9AJAK2JAK1FER
SCHEMBL16164437 0.87 SYK (0.47) NPC1POLBRAB9ASYKFER
SCHEMBL16164434 0.87 SYK (0.47) NPC1POLBRAB9ASYKFER
SCHEMBL16164952 0.86 JAK2 (0.42) JAK2JAK1FERCCNE1CDK2
SCHEMBL16164953 0.86 JAK2 (0.42) JAK2JAK1FERCCNE1CDK2
SCHEMBL16165069 0.86 NPC1 (0.39) NPC1POLBRAB9ASYKJAK2
SCHEMBL16165071 0.86 NPC1 (0.39) NPC1POLBRAB9ASYKJAK2

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 NPC1 1823/4885POLB 4179/4885RAB9A 2530/4885

“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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