SCHEMBL1444473

SCHEMBL1444473

Cc1nc(NN=Cc2ccc(O)cc2O)cc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ POLB P06746 6/20 1.00
▸ GAA P10253 6/20 1.00
▸ MAPT P10636 10/20 0.79
▸ KDM4E B2RXH2 8/20 0.79
▸ LMNA P02545 7/20 0.79
▸ APAF1 O14727 3/20 0.79
▸ SENP7 Q9BQF6 2/20 0.79
▸ SENP6 Q9GZR1 2/20 0.79
▸ PAX8 Q06710 1/20 0.79
▸ TAAR1 Q96RJ0 2/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ NSD2 O96028 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MPI P34949 1/20 0.54
▸ HPGD P15428 1/20 0.51

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
SCHEMBL11981834 1.00 MEN1 (1.00) MEN1KMT2APOLBGAAMAPT
SCHEMBL12819453 0.89 GAA (0.80) MEN1KMT2APOLBGAAMAPT
SCHEMBL1444105 0.88 MAPT (1.00) MEN1KMT2APOLBGAAMAPT
SCHEMBL1443318 0.88 GAA (0.79) MEN1KMT2APOLBGAAMAPT
SCHEMBL11961913 0.88 GAA (0.79) MEN1KMT2APOLBGAAMAPT
SCHEMBL11961914 0.88 MAPT (1.00) MEN1KMT2APOLBGAAMAPT
SCHEMBL13745582 0.88 MAPT (1.00) MEN1KMT2APOLBGAAMAPT
SCHEMBL11901247 0.81 MAPT (0.71) MEN1KMT2APOLBGAAMAPT
SCHEMBL11961918 0.81 MAPT (0.71) MEN1KMT2APOLBGAAMAPT
SCHEMBL23837656 0.80 MAPT (0.78) MEN1KMT2APOLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 — — EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 — — EP disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 — — US disclosed
EP-2473486-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-11 — — EP disclosed
WO-2011026835-A1 NOVEL PYRIMIDINE AND TRIAZINE HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 — — 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 (1 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-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists HAMP, DHPS, SLC40A1 MEN1 4413/4885KMT2A 3797/4885POLB 1945/4885

“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.

Send feedback