SCHEMBL16164556

SCHEMBL16164556

C[C@H](NC(=O)O)[C@@H](Nc1nc(Cl)c(C#N)cc1F)c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ KHK P50053 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ S1PR3 Q99500 3/20 0.33
▸ CTSA P10619 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ INCENP Q9NQS7 1/20 0.33

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
SCHEMBL16164554 1.00 JAK2 (0.35) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL16207729 0.92 CYP1A2 (0.39) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL16207730 0.92 CYP1A2 (0.39) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL16207782 0.90 KHK (0.37) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL16207774 0.89 JAK3 (0.43) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL16760789 0.89 JAK3 (0.43) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL16165005 0.88 S1PR3 (0.41) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL16165007 0.88 S1PR3 (0.41) JAK2JAK3LIMK1LIMK2KHK
SCHEMBL15081308 0.87 TRPA1 (0.42) MEN1KMT2ANPSR1CNR1CNR2
SCHEMBL16168989 0.86 KHK (0.40) JAK2JAK3LIMK1LIMK2KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — 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 JAK2 16/4885JAK3 101/4885LIMK1 1481/4885

“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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