SCHEMBL16620529

SCHEMBL16620529

Cc1cc(-c2ccc3ncc(I)n3n2)ccc1C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.52
MKNK2 Q9HBH9 9/20 0.52
EIF4E P06730 4/20 0.50
JAK2 O60674 4/20 0.46
JAK1 P23458 4/20 0.46
TYK2 P29597 4/20 0.46
JAK3 P52333 4/20 0.46
LRRK2 Q5S007 1/20 0.46
MET P08581 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PLAUR Q03405 1/20 0.42
TTK P33981 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
SCHEMBL16620616 0.88 MET (0.53) MKNK1MKNK2EIF4EJAK2JAK1
SCHEMBL17969564 0.88 MKNK1 (0.49) MKNK1MKNK2EIF4ELRRK2MET
SCHEMBL15288498 0.87 FYN (0.48) MKNK1MKNK2EIF4EJAK2JAK1
SCHEMBL16304106 0.86 MKNK1 (0.48) MKNK1MKNK2EIF4EJAK2JAK1
SCHEMBL16620681 0.85 MKNK1 (0.47) MKNK1MKNK2EIF4EMETALDH1A1
SCHEMBL16620475 0.85 MKNK1 (0.68) MKNK1MKNK2EIF4E
SCHEMBL15285995 0.85 SMN1; SMN2 (0.52) MKNK1MKNK2EIF4EMETMEN1
SCHEMBL16626009 0.82 MKNK1 (0.55) MKNK1MKNK2EIF4EJAK2JAK1
SCHEMBL17969597 0.82 MKNK1 (0.54) MKNK1MKNK2JAK2JAK1TYK2
SCHEMBL17998743 0.78 MTOR (0.48) MKNK1MKNK2EIF4EJAK2JAK1

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 MKNK1 11/4885MKNK2 3/4885EIF4E 1766/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 MKNK1 10/4885MKNK2 3/4885EIF4E 1880/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MKNK1 11/4885MKNK2 3/4885EIF4E 1766/4885

“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.