SCHEMBL16620894

SCHEMBL16620894

CCOC(=O)c1ccc(-c2ccc3ncc(I)n3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAOB P27338 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ESR1 P03372 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ESR2 Q92731 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL15288419 0.85 ATM (0.45) KDM4EGLAGAAMAOBCA12
SCHEMBL15288134 0.82 GAA (0.48) KDM4EGLAGAAPIK3CDPIK3R1
SCHEMBL15288318 0.81 IDO1 (0.48) KDM4EGLAGAAMAOBPIK3CD
SCHEMBL16620848 0.79 KDM4E (0.43) KDM4EGLAGAAMAOBPDGFRB
SCHEMBL15288297 0.78 MKNK1 (0.63) KDM4EGLAGAAMAOBPDGFRB
SCHEMBL16620726 0.78 NPC1 (0.49) KDM4EGAAMAOBPIK3CACA12
SCHEMBL19781265 0.78 CLK1 (0.46) KDM4EGLAGAAMAOBPDGFRB
SCHEMBL31051248 0.75 TGFBR1 (0.54) KDM4EGLAGAAPIK3CDPIK3R1
SCHEMBL312448 0.75 PIK3CD (0.55) KDM4EGLAGAAPIK3CDPIK3R1
SCHEMBL16621332 0.74 DYRK1A (0.52) KDM4EMAOBPDGFRBPDGFRACA12

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 KDM4E 1795/4885GLA 4240/4885GAA 3041/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 KDM4E 1777/4885GLA 4332/4885GAA 3244/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 KDM4E 1795/4885GLA 4240/4885GAA 3041/4885

“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.