SCHEMBL1674041

SCHEMBL1674041

CCNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.40
ABL1 P00519 2/20 0.40
PYGL P06737 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 2/20 0.36
F11 P03951 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
DGAT1 O75907 1/20 0.35
NTRK1 P04629 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4523141 0.86 KMT2A (0.47) HIF1AKDM4EMEN1MAPTKMT2A
SCHEMBL15141616 0.82 CA1 (0.47) HIF1ALPLLIPGGAA
SCHEMBL58123 0.81 KDR (0.51) HIF1AMEN1KMT2ANTRK1
SCHEMBL12107159 0.80 HIF1A (0.44) HIF1ALPLLIPGGAA
SCHEMBL28341813 0.75 AAK1 (0.40) HIF1AKDM4EKMT2AF2F11
SCHEMBL516237 0.75 F2 (0.40) HIF1AF2F11PRSS1PRSS2
SCHEMBL20562627 0.74 ROCK1 (0.42) HIF1AMEN1KMT2AF2F11
SCHEMBL23798209 0.74 F2 (0.44) HIF1AKDM4EF2F11PRSS1
SCHEMBL29764068 0.73 DGAT1 (0.41) HIF1AKDM4EMEN1MAPTKMT2A
SCHEMBL13480590 0.73 GAA (0.55) ABL1KDM4EMEN1KMT2ANTRK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109249-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS YM BioSciences Australia Pty Ltd (AU) 2016-12-28 EP disclosed
US-9499560-B2 N-containing heterocyclic compounds YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2016-11-22 US disclosed
EP-2215094-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-01-27 EP disclosed
US-8765755-B2 N-containing heterocyclic compounds YM BIOSCIENCES AUSTRALIA PTY LTD. (AU) 2014-07-01 US disclosed
US-20130090336-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-04-11 US disclosed
US-8354408-B2 N-containing heterocyclic compounds YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-01-15 US disclosed
US-20110092499-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-04-21 US disclosed
EP-2215094-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS YM BioSciences Australia Pty Ltd (AU) 2010-08-11 EP disclosed
WO-2009062258-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS CYTOPIA RESEARCH PTY LTD (AU) 2009-05-22 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 (2 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-20130090336-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS JAK2, JAK3, JAK1 HIF1A 1555/4885ABL1 15/4885PYGL 817/4885
US-20110092499-A1 N-CONTAINING HETEROCYCLIC COMPOUNDS JAK2, JAK3, JAK1 HIF1A 1555/4885ABL1 15/4885PYGL 817/4885

“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.