SCHEMBL1444580

SCHEMBL1444580

NN=C(c1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HTT P42858 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PIK3CA P42336 5/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ PIK3CB P42338 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TSHR P16473 2/20 0.41

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
SCHEMBL1444573 1.00 POLB (0.52) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL11900613 0.85 MAPT (0.46) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL11900619 0.85 MAPT (0.46) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL1443109 0.82 PIK3CA (0.46) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL1443116 0.82 PIK3CA (0.46) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL11900792 0.80 PIK3CD (0.48) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL11901244 0.78 GAA (0.47) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL11901252 0.78 GAA (0.47) POLBMAPTHTTKDM4EPIK3CA
SCHEMBL1443320 0.74 MAPT (0.48) POLBMAPTHTTKDM4EMGLL
SCHEMBL11900689 0.74 MAPT (0.48) POLBMAPTHTTKDM4EMGLL

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 POLB 1945/4885MAPT 4432/4885HTT 2057/4885

“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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