SCHEMBL10169447

SCHEMBL10169447

Cc1nc(Nc2ccc(C3(C)CCN(C)CC3)cc2)c(C(N)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.41
LCK P06239 13/20 0.41
EGFR P00533 12/20 0.41
BTK Q06187 2/20 0.41
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL893639 0.89 JAK3 (0.39) JAK3LCKEGFRBTKJAK2
SCHEMBL10169338 0.82 SYK (0.52) EGFRBTK
SCHEMBL10169441 0.80 STAT6 (0.51) JAK3LCKEGFRBTKPARP1
SCHEMBL10169403 0.79 SYK (0.44) JAK2JAK1
SCHEMBL10169425 0.78 FLT3 (0.55) JAK3BTKJAK2JAK1
SCHEMBL10169433 0.77 MEN1 (0.47) JAK3BTKJAK2JAK1
SCHEMBL10169371 0.77 STAT6 (0.55)
SCHEMBL10169331 0.76 BTK (0.57) JAK3LCKEGFRBTKJAK2
SCHEMBL10169520 0.76 PARP1 (0.48) JAK3LCKEGFRBTKPARP1
SCHEMBL894595 0.74 BTK (0.37) JAK3LCKEGFRBTK

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-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT JAK3 418/4885LCK 31/4885EGFR 2225/4885

“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.