SCHEMBL16620873

SCHEMBL16620873

COc1ccc(Cn2ncc3c(C#Cc4cnc5ccc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)cc6)cn45)ccnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.41
CFTR P13569 2/20 0.37
SLC6A7 Q99884 1/20 0.36
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PRKAA2 P54646 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
CLK1 P49759 2/20 0.35
CYP3A4 P08684 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16621005 0.89 MKNK1 (0.44) LSSMEN1KMT2ASMN1; SMN2MKNK1
SCHEMBL16620452 0.81 MKNK1 (0.40) CFTRMEN1KMT2AGPR119CYP3A4
SCHEMBL16620432 0.76 MKNK1 (0.47) MEN1KMT2AGPR119CYP3A4MKNK1
SCHEMBL3718499 0.74 MAPT (0.48) KDM1ALMNAMAPTSMN1; SMN2GPR119
SCHEMBL16620516 0.73 MKNK1 (0.49) MEN1KMT2AGPR119CYP3A4MKNK1
SCHEMBL17969580 0.72 CFTR (0.43) CFTRMEN1KMT2ACYP3A4MKNK1
SCHEMBL16621188 0.72 CFTR (0.43) CFTRMEN1KMT2ACYP3A4MKNK1
SCHEMBL16620455 0.71 MKNK1 (0.38) CFTRMEN1KMT2ACYP3A4MKNK1
SCHEMBL16620368 0.70 CFTR (0.42) CFTRCYP3A4MKNK1MKNK2HDAC4
SCHEMBL16620625 0.70 MKNK1 (0.40) CFTRCYP3A4MKNK1MKNK2HDAC4

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 LSS 4874/4885CFTR 3198/4885SLC6A7 4459/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 LSS 4875/4885CFTR 3358/4885SLC6A7 4500/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 LSS 4874/4885CFTR 3198/4885SLC6A7 4459/4885

“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.