SCHEMBL12119790

SCHEMBL12119790

CNc1nc(-c2cc(F)c(C#N)c(F)c2)cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.53
▸ BTK Q06187 1/20 0.53
▸ AURKA O14965 3/20 0.51
▸ PDPK1 O15530 3/20 0.51
▸ AURKB Q96GD4 3/20 0.51
▸ SYK P43405 2/20 0.47
▸ RET P07949 3/20 0.47
▸ MAP4K4 O95819 2/20 0.45
▸ DPP4 P27487 1/20 0.43
▸ SUV39H2 Q9H5I1 3/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ CTSK P43235 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39

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
SCHEMBL12119798 0.94 JAK3 (0.49) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12119796 0.90 AURKA (0.54) JAK3BTKAURKAPDPK1AURKB
SCHEMBL3131514 0.88 CCNC (0.40) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12119836 0.87 AURKA (0.51) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12122733 0.85 AURKA (0.60) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12119841 0.82 AURKA (0.47) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12119802 0.80 BTK (0.59) JAK3BTKAURKAPDPK1AURKB
SCHEMBL1318215 0.80 KHK (0.35) AURKAPDPK1AURKBRET
SCHEMBL16977385 0.79 PDPK1 (0.67) JAK3BTKAURKAPDPK1AURKB
SCHEMBL12119789 0.79 PDPK1 (0.67) JAK3BTKAURKAPDPK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 JAK3 1164/4885BTK 759/4885AURKA 298/4885

“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.

Send feedback