SCHEMBL20173714

SCHEMBL20173714

COC(=O)c1c(C#N)cc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc2nc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.56
JAK2 O60674 4/20 0.44
ZAP70 P43403 4/20 0.44
FER P16591 7/20 0.43
RET P07949 2/20 0.41
ALK Q9UM73 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
PRKCG P05129 1/20 0.41

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
SCHEMBL20178206 0.87 SYK (0.42) SYKFERCDK1
SCHEMBL22475441 0.85 FER (0.47) SYKJAK2FERRETALK
SCHEMBL1987593 0.85 FER (0.47) SYKJAK2FERRETALK
SCHEMBL21032272 0.83 FER (0.44) SYKJAK2ZAP70FERRET
SCHEMBL21032281 0.80 FER (0.51) SYKJAK2ZAP70FERRET
SCHEMBL1986771 0.79 SYK (0.51) SYKJAK2ZAP70FERRET
SCHEMBL20173713 0.79 F11 (0.46) SYKCDK1CLK4DYRK1B
SCHEMBL16751292 0.76 ALDH1A1 (0.40) SYKFERRETCDC7ROCK2
SCHEMBL20173715 0.74 SYK (0.67) SYKJAK2ZAP70FERRET
SCHEMBL23397919 0.74 FER (0.38) SYKJAK2ZAP70FERRET

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-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES CALITHERA BIOSCIENCES, INC. 2018-05-24 US disclosed
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 1/4885JAK2 5/4885ZAP70 2/4885

“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.