SCHEMBL16620733

SCHEMBL16620733

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc(Nc6cccnc6)c5)n4c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.41
MKNK1 Q9BUB5 9/20 0.40
MKNK2 Q9HBH9 9/20 0.40
CYP3A4 P08684 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
DYRK2 Q92630 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
KIT P10721 1/20 0.37
EIF4E P06730 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
AKT1 P31749 1/20 0.36
TBK1 Q9UHD2 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
SCHEMBL16620368 0.94 CFTR (0.42) CFTRMKNK1MKNK2CYP3A4DYRK2
SCHEMBL16620506 0.88 MKNK1 (0.39) CFTRMKNK1MKNK2CYP3A4DYRK2
SCHEMBL16620625 0.87 MKNK1 (0.40) CFTRMKNK1MKNK2CYP3A4DYRK2
SCHEMBL16625862 0.87 MKNK1 (0.52) MKNK1MKNK2CYP3A4EIF4E
SCHEMBL17969580 0.87 CFTR (0.43) CFTRMKNK1MKNK2CYP3A4DYRK2
SCHEMBL16621188 0.87 CFTR (0.43) CFTRMKNK1MKNK2CYP3A4DYRK2
SCHEMBL16620371 0.86 CFTR (0.43) CFTRMKNK1MKNK2CYP3A4DYRK2
SCHEMBL16620198 0.85 MKNK1 (0.38) CFTRMKNK1MKNK2CYP3A4DYRK2
SCHEMBL16620432 0.85 MKNK1 (0.47) MKNK1MKNK2CYP3A4GPR119EIF4E
SCHEMBL16620756 0.81 MKNK1 (0.42) CFTRMKNK1MKNK2CYP3A4EIF4E

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 CFTR 3198/4885MKNK1 11/4885MKNK2 3/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 CFTR 3358/4885MKNK1 10/4885MKNK2 3/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 CFTR 3198/4885MKNK1 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.