SCHEMBL1442644

SCHEMBL1442644

CCN(CC)c1nc(-c2ccccn2)ncc1Cc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 2/20 0.45
TRPM8 Q7Z2W7 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
AGTR1 P30556 1/20 0.41
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
PPP1CA P62136 2/20 0.37
FFAR1 O14842 2/20 0.37

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
SCHEMBL1442851 0.82 METAP2 (0.54) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1443138 0.79 NPC1 (0.45) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1443331 0.79 L3MBTL1 (0.54) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1442705 0.79 L3MBTL1 (0.56) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1443023 0.79 L3MBTL1 (0.56) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL23837660 0.77 SMN1; SMN2 (0.52) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1443330 0.77 L3MBTL1 (0.57) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL1442954 0.75 TRPM8 (0.70) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL27855828 0.74 NPC1 (0.59) HTTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL11901216 0.74 L3MBTL1 (0.73) HTTL3MBTL1ALDH1A1SMN1; SMN2LMNA

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 10 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
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
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 HTT 2057/4885L3MBTL1 3829/4885NPC1 2222/4885

“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.