SCHEMBL1444576

SCHEMBL1444576

Oc1ccccc1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.69
▸ TAAR1 Q96RJ0 1/20 0.69
▸ KMT2A Q03164 4/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ KDM5A P29375 1/20 0.65
▸ POLB P06746 3/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ ALDH1A1 P00352 6/20 0.61
▸ HTT P42858 4/20 0.61
▸ DDX3X O00571 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ GAA P10253 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56

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
SCHEMBL11961917 1.00 MAPT (0.69) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL26135457 0.91 MAPT (0.61) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11898925 0.88 DDX3X (0.80) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11898926 0.88 DDX3X (0.80) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11899415 0.87 MAPT (0.64) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11899414 0.87 MAPT (0.64) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11961916 0.86 MAPT (0.79) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11900618 0.86 MAPT (0.79) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11898861 0.85 DDX3X (0.81) MAPTTAAR1KMT2AMEN1NPSR1
SCHEMBL11898862 0.85 DDX3X (0.81) MAPTTAAR1KMT2AMEN1NPSR1

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 MAPT 4432/4885TAAR1 583/4885KMT2A 3797/4885

“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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