SCHEMBL16620681

SCHEMBL16620681

O=C(c1ccc(-c2ccc3ncc(I)n3n2)cc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
MET P08581 2/20 0.47
EIF4E P06730 2/20 0.46
HPGD P15428 5/20 0.42
ERN1 O75460 1/20 0.42
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.39
GRIN2B Q13224 1/20 0.39
TNF P01375 1/20 0.39
KCNH2 Q12809 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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 0.87 MET (0.53) MKNK1MKNK2METEIF4EALOX5AP
SCHEMBL16620529 0.85 MKNK1 (0.52) MKNK1MKNK2METEIF4EALDH1A1
SCHEMBL17969564 0.85 MKNK1 (0.49) MKNK1MKNK2METEIF4ETSHR
SCHEMBL16304106 0.84 MKNK1 (0.48) MKNK1MKNK2METEIF4EHPGD
SCHEMBL15288498 0.83 FYN (0.48) MKNK1MKNK2EIF4EHPGDKDM4E
SCHEMBL15285995 0.82 SMN1; SMN2 (0.52) MKNK1MKNK2METEIF4EERN1
SCHEMBL16620475 0.81 MKNK1 (0.68) MKNK1MKNK2EIF4EHPGDKCNH2
SCHEMBL16621176 0.80 MKNK1 (0.43) MKNK1MKNK2METEIF4EALOX5AP
SCHEMBL17969556 0.74 MKNK1 (0.49) MKNK1MKNK2EIF4EHPGDALOX5AP
SCHEMBL16621074 0.73 HPGD (0.48) HPGDERN1ALOX5APFEN1TSHR

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 5 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
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 (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-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 MKNK1 10/4885MKNK2 3/4885MET 1613/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MKNK1 11/4885MKNK2 3/4885MET 1482/4885

“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.