SCHEMBL1443116

SCHEMBL1443116

NN=C(c1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 5/20 0.45
▸ POLB P06746 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MPI P34949 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GPR55 Q9Y2T6 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
SCHEMBL1443109 1.00 PIK3CA (0.46) PIK3CAKDM4ELMNAMAPTPOLB
SCHEMBL11900689 0.88 MAPT (0.48) KDM4ELMNAMAPTPOLBKMT2A
SCHEMBL1443320 0.88 MAPT (0.48) KDM4ELMNAMAPTPOLBKMT2A
SCHEMBL1444110 0.88 GAA (0.53) PIK3CAKDM4ELMNAMAPTPOLB
SCHEMBL1444102 0.88 GAA (0.53) PIK3CAKDM4ELMNAMAPTPOLB
SCHEMBL1444580 0.82 POLB (0.52) PIK3CAKDM4ELMNAMAPTPOLB
SCHEMBL1444573 0.82 POLB (0.52) PIK3CAKDM4ELMNAMAPTPOLB
SCHEMBL11900783 0.81 PIK3CA (0.57) PIK3CAKDM4ELMNAMAPTPOLB
SCHEMBL11900791 0.81 PIK3CA (0.57) PIK3CAKDM4ELMNAMAPTPOLB
SCHEMBL1444466 0.76 GAA (0.54) PIK3CAKDM4ELMNAMAPTPOLB

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 PIK3CA 3070/4885KDM4E 3527/4885LMNA 4333/4885

“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.

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