SCHEMBL16169259

SCHEMBL16169259

COc1ccc(Nc2nc(N[C@H](C3CC3)[C@H](C)NC(=O)OC(C)(C)C)c(F)cc2C(N)=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.41
▸ MAPK8 P45983 2/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ RET P07949 1/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ EML4 Q9HC35 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 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
SCHEMBL16169254 0.97 SYK (0.42) SYKMAPK8MAPK9ALDH1A1GAA
SCHEMBL16169263 0.95 SYK (0.37) SYKMAPK8MAPK9FLT3RET
SCHEMBL16169253 0.92 BTK (0.39) SYKMAPK8MAPK9FLT3RET
SCHEMBL16169260 0.91 SYK (0.41) SYKJAK2JAK1
SCHEMBL16169261 0.90 JAK1 (0.42) SYKJAK2JAK1
SCHEMBL16169389 0.90 SYK (0.39) SYKJAK2JAK1
SCHEMBL16165540 0.89 MAPK8 (0.45) SYKMAPK8MAPK9FLT3RET
SCHEMBL16165543 0.89 MAPK8 (0.45) SYKMAPK8MAPK9FLT3RET
SCHEMBL16169257 0.89 SYK (0.46) SYK
SCHEMBL16169258 0.89 SYK (0.43) SYKJAK2JAK1ROCK2ROCK1

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-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 1/4885MAPK8 942/4885MAPK9 900/4885

“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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