SCHEMBL16620616

SCHEMBL16620616

O=C(c1ccc(-c2ccc3ncc(I)n3n2)cc1F)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.53
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
EIF4E P06730 2/20 0.48
ALOX5AP P20292 6/20 0.46
FEN1 P39748 6/20 0.46
LRRK2 Q5S007 1/20 0.45
MTOR P42345 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PIK3CA P42336 1/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD9 Q9H8M2 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
SCHEMBL16620529 0.88 MKNK1 (0.52) METMKNK1MKNK2EIF4ELRRK2
SCHEMBL17969564 0.88 MKNK1 (0.49) METMKNK1MKNK2EIF4ELRRK2
SCHEMBL16620681 0.87 MKNK1 (0.47) METMKNK1MKNK2EIF4EALOX5AP
SCHEMBL16304106 0.86 MKNK1 (0.48) METMKNK1MKNK2EIF4EALOX5AP
SCHEMBL15288498 0.85 FYN (0.48) MKNK1MKNK2EIF4ELRRK2MTOR
SCHEMBL15285995 0.85 SMN1; SMN2 (0.52) METMKNK1MKNK2EIF4EMEN1
SCHEMBL16620475 0.83 MKNK1 (0.68) MKNK1MKNK2EIF4E
SCHEMBL16620687 0.82 MKNK1 (0.52) METMKNK1MKNK2ALOX5APFEN1
SCHEMBL17969556 0.80 MKNK1 (0.49) MKNK1MKNK2EIF4EALOX5APFEN1
SCHEMBL16625832 0.78 MTOR (0.50) METMKNK1MKNK2EIF4EALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-01-28 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 US disclosed
EP-3052501-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF Agency For Science, Technology And Research (SG) 2016-08-10 EP disclosed
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 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 (3 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-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MET 1482/4885MKNK1 11/4885MKNK2 3/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 MET 1613/4885MKNK1 10/4885MKNK2 3/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MET 1482/4885MKNK1 11/4885MKNK2 3/4885

“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.