SCHEMBL16164337

SCHEMBL16164337

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.48
▸ PDE4B Q07343 2/20 0.42
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ULK1 O75385 1/20 0.36
▸ TNIK Q9UKE5 2/20 0.36

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
SCHEMBL16164405 0.90 SYK (0.46) SYKPDE4BMAPTHTTMEN1
SCHEMBL16164406 0.90 SYK (0.46) SYKPDE4BMAPTHTTMEN1
SCHEMBL20473551 0.88 PDE4B (0.46) SYKPDE4BMAPTHTTMEN1
SCHEMBL14909803 0.88 PDE4B (0.46) SYKPDE4BMAPTHTTMEN1
SCHEMBL14909754 0.88 PDE4B (0.46) SYKPDE4BMAPTHTTMEN1
SCHEMBL16170981 0.86 SYK (0.42) SYKPDE4BMAPTHTTCYP3A4
SCHEMBL14908884 0.84 SYK (0.50) SYKMAPTMEN1KMT2ATNIK
SCHEMBL10076911 0.83 PDE4B (0.46) SYKPDE4BMAPTHTTMEN1
SCHEMBL14909666 0.83 SYK (0.42) SYKPDE4BMAPTHTTMEN1
SCHEMBL9106928 0.81 SYK (0.50) SYKPDE4BMAPTHTTMEN1

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 1/4885PDE4B 307/4885MAPT 4402/4885

“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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