SCHEMBL17308196

SCHEMBL17308196

CO[C@H]1CCN(C(=O)CC#N)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.41
JAK1 P23458 7/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.39
JAK2 O60674 7/20 0.38
TYK2 P29597 2/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.37
STK3 Q13188 2/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
DCLK1 O15075 1/20 0.36
ROCK2 O75116 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL30497351 1.00 JAK3 (0.41) JAK3JAK1PIK3CDPIK3CAJAK2
SCHEMBL23895694 1.00 JAK3 (0.41) JAK3JAK1PIK3CDPIK3CAJAK2
SCHEMBL17308267 0.90 ALDH1A1 (0.42) JAK3JAK1PIK3CDJAK2TYK2
SCHEMBL17320497 0.84 PIK3CD (0.41) JAK3JAK1PIK3CDPIK3CAJAK2
SCHEMBL17306173 0.83 IRAK4 (0.39) JAK3JAK1PIK3CDPIK3CAJAK2
SCHEMBL25560158 0.83 IRAK4 (0.39) JAK3JAK1PIK3CDPIK3CAJAK2
SCHEMBL23315813 0.80 PIK3CD (0.39) JAK3JAK1PIK3CDPIK3CAJAK2
SCHEMBL15932469 0.80 PIK3CD (0.43) PIK3CDPIK3CAALDH1A1
SCHEMBL12522300 0.80 ALDH1A1 (0.39) PIK3CDALDH1A1MAPTKMT2AKDM4E
SCHEMBL6043872 0.80 ALDH1A1 (0.39) PIK3CDALDH1A1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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 (2 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS JAK3 967/4885JAK1 930/4885PIK3CD 726/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS JAK3 967/4885JAK1 930/4885PIK3CD 726/4885

“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.