SCHEMBL20164930

SCHEMBL20164930

COC(=O)c1c(C#N)cc(N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)nc1Nc1cccc(C[SH](=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.41
FER P16591 7/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
CSNK2A2 P19784 1/20 0.35
BRD4 O60885 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
HCK P08631 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
MARK3 P27448 1/20 0.34
LTK P29376 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK2 P49760 1/20 0.34
MAPK10 P53779 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MAP3K10 Q02779 1/20 0.34

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
SCHEMBL1989066 0.88 FER (0.51) SYKFERJAK2ROCK2MAP4K4
SCHEMBL21031802 0.86 SYK (0.43) SYKFERJAK2ROCK2MAP4K4
SCHEMBL17274160 0.85 SYK (0.42) SYKFERJAK2JAK1CAMK1D
SCHEMBL1987168 0.85 SYK (0.42) SYKFERJAK2JAK1CAMK1D
SCHEMBL21031806 0.84 SYK (0.41) SYKFER
SCHEMBL1989027 0.84 SYK (0.41) SYKFERJAK2JAK1CAMK1D
SCHEMBL1986622 0.82 SYK (0.42) SYKFERJAK2JAK1
SCHEMBL16751306 0.81 FER (0.54) SYKFERJAK2ROCK2MAP4K4
SCHEMBL23397921 0.80 SYK (0.40) SYKFERROCK2
SCHEMBL22475392 0.80 SYK (0.40) SYKFERROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES CALITHERA BIOSCIENCES, INC. 2018-05-24 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-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN SYK 1/4885FER 62/4885JAK2 5/4885

“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.