SCHEMBL16620741

SCHEMBL16620741

O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc5[nH]ncc45)n3c2)cc1)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 17/20 0.52
MKNK2 Q9HBH9 17/20 0.52
EIF4E P06730 2/20 0.46
CYP3A4 P08684 2/20 0.44
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
RIPK1 Q13546 1/20 0.40
PIK3CA P42336 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
SCHEMBL16620579 0.91 MKNK1 (0.52) MKNK1MKNK2EIF4ECYP3A4
SCHEMBL16625991 0.88 MKNK1 (0.52) MKNK1MKNK2EIF4ECYP3A4CCNC
SCHEMBL16621013 0.82 MKNK1 (0.61) MKNK1MKNK2EIF4ECYP3A4PIK3CA
SCHEMBL16621014 0.82 MKNK1 (0.54) MKNK1MKNK2EIF4E
SCHEMBL24520115 0.80 MKNK1 (0.53) MKNK1MKNK2EIF4ECYP3A4CCNC
SCHEMBL16621189 0.80 MKNK1 (0.54) MKNK1MKNK2EIF4ECYP3A4CCNC
SCHEMBL29756458 0.80 MKNK1 (0.54) MKNK1MKNK2EIF4ECYP3A4CCNC
SCHEMBL24520069 0.80 MKNK1 (0.49) MKNK1MKNK2EIF4ECYP3A4CCNC
SCHEMBL16620997 0.79 MKNK1 (0.51) MKNK1MKNK2EIF4ECYP3A4CCNC
SCHEMBL16626035 0.79 MKNK1 (0.52) MKNK1MKNK2EIF4E

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 16 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
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-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-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 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-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 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
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 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
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.