SCHEMBL11900784

SCHEMBL11900784

Oc1ccccc1CN1CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.54
CASP1 P29466 6/20 0.53
CASP5 P51878 6/20 0.53
CASP4 P49662 5/20 0.53
PIK3CA P42336 2/20 0.49
KMT2A Q03164 1/20 0.47
PIK3CB P42338 2/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
GBA1 P04062 1/20 0.45
MTOR P42345 2/20 0.44
TSHR P16473 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
SCHEMBL1123752 0.82 CASP1 (0.78) CASP1CASP5CASP4KMT2AHTT
SCHEMBL4327006 0.78 MPO (0.75) MPOKMT2AMAPTTSHR
SCHEMBL1442813 0.77 PIK3CB (0.50) PIK3CAKMT2APIK3CBMAPTHTT
SCHEMBL1444289 0.77 PIK3CA (0.46) PIK3CAKMT2APIK3CBMAPTGBA1
SCHEMBL10787841 0.77 MPO (0.72) MPOKMT2AMAPTTSHR
SCHEMBL1124300 0.76 HTT (0.62) CASP1CASP5PIK3CAKMT2APIK3CB
SCHEMBL1123979 0.76 HTT (0.62) CASP1CASP5PIK3CAKMT2APIK3CB
SCHEMBL1123614 0.76 HTT (0.62) CASP1CASP5PIK3CAKMT2APIK3CB
SCHEMBL3991347 0.76 CASP1 (0.67) CASP1CASP5CASP4KMT2AMAPT
SCHEMBL9689529 0.75 CASP1 (0.59) CASP1CASP5CASP4KMT2AMAPT

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 8 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-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
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
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US disclosed
US-20120202806-A1 Novel Pyrimidine- And Triazine-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-09 US 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 MPO 1729/4885CASP1 2392/4885CASP5 1432/4885

“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.