SCHEMBL16164475

SCHEMBL16164475

CCn1ncc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)c(F)cc3C(N)=O)cccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 19/20 0.55
▸ AURKB Q96GD4 3/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAPK3 P27361 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ JAK2 O60674 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ ZAP70 P43403 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ PDE4B Q07343 1/20 0.41

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
SCHEMBL16163890 0.92 SYK (0.47) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16164071 0.91 SYK (0.46) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16165154 0.90 SYK (0.54) SYKAURKBKDRMAPK3MAPK1
SCHEMBL16164499 0.90 SYK (0.52) SYKAURKBKDRMAPK3MAPK1
SCHEMBL14909705 0.90 SYK (0.68) SYK
SCHEMBL14929170 0.90 SYK (0.68) SYK
SCHEMBL14909708 0.90 SYK (0.68) SYK
SCHEMBL14909702 0.90 SYK (0.68) SYK
SCHEMBL16163850 0.85 SYK (0.55) SYKAURKBMAPK3MAPK1KCNH2
SCHEMBL16164658 0.82 SYK (0.43) SYKAURKBKDRMAPK3MAPK1

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 8 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 claimed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US claimed
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
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US 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 1/4885AURKB 2752/4885KDR 743/4885

“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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