SCHEMBL11900782

SCHEMBL11900782

COc1ccc(O)c(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ ALDH1A1 P00352 7/20 0.66
▸ KDM4E B2RXH2 5/20 0.66
▸ GAA P10253 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ AKR1C3 P42330 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL11900786 1.00 MAPT (0.67) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL12820169 0.92 MAPT (0.66) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL22892508 0.82 MAPT (0.71) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL1444576 0.81 MAPT (0.69) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL11961917 0.81 MAPT (0.69) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL11900618 0.79 MAPT (0.79) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL11961916 0.79 MAPT (0.79) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL31653615 0.78 MAPT (0.80) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL26115021 0.78 MAPT (0.80) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL26135108 0.78 MAPT (0.80) MAPTKMT2AMEN1NPSR1ALDH1A1

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 MAPT 4432/4885KMT2A 3797/4885MEN1 4413/4885

“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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