SCHEMBL16620577

SCHEMBL16620577

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc6[nH]ccc56)n4n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.42
MKNK2 Q9HBH9 10/20 0.42
CYP3A4 P08684 1/20 0.41
CFTR P13569 2/20 0.40
EIF4E P06730 4/20 0.39
JAK1 P23458 2/20 0.39
DYRK2 Q92630 1/20 0.39
ATR Q13535 3/20 0.38
CHEK1 O14757 1/20 0.38
PIK3CA P42336 1/20 0.38
HDAC4 P56524 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL16626057 0.87 MKNK1 (0.55) MKNK1MKNK2CYP3A4EIF4EATR
SCHEMBL16620611 0.86 MKNK1 (0.53) MKNK1MKNK2CYP3A4EIF4EATR
SCHEMBL16621059 0.84 CECR2 (0.47) MKNK1MKNK2CYP3A4EIF4EATR
SCHEMBL24520101 0.83 MKNK1 (0.44) MKNK1MKNK2CYP3A4EIF4EATR
SCHEMBL16620994 0.80 MKNK1 (0.52) MKNK1MKNK2CYP3A4CFTREIF4E
SCHEMBL16625805 0.77 MKNK1 (0.53) MKNK1MKNK2CYP3A4EIF4E
SCHEMBL29756310 0.77 CHEK1 (0.38) MKNK1MKNK2CYP3A4EIF4EATR
SCHEMBL17969583 0.76 MET (0.41) ATRCHEK1PIK3CAJAK2JAK3
SCHEMBL17969595 0.76 MKNK1 (0.51) MKNK1MKNK2CYP3A4EIF4EJAK1
SCHEMBL24520016 0.76 CHEK1 (0.42) ATRCHEK1PIK3CA

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 3/4885CYP3A4 4462/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 MKNK1 10/4885MKNK2 3/4885CYP3A4 4365/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 MKNK1 11/4885MKNK2 3/4885CYP3A4 4462/4885

“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.