SCHEMBL1443548

SCHEMBL1443548

CCOc1ccccc1Cc1c(N)nc(-c2ccccn2)nc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.64
NPC1 O15118 3/20 0.64
HTT P42858 3/20 0.64
ALDH1A1 P00352 2/20 0.64
RAB9A P51151 1/20 0.64
TDP1 Q9NUW8 3/20 0.56
PPP1CA P62136 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
S1PR1 P21453 1/20 0.44
CBFB Q13951 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL1442342 0.88 L3MBTL1 (0.66) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL1443249 0.81 L3MBTL1 (0.71) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL7096913 0.80 ALDH1A1 (0.45) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL7093613 0.79 ALDH1A1 (0.44) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL11901245 0.79 NPC1 (1.00) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL23837630 0.79 NPC1 (0.71) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL1442652 0.78 L3MBTL1 (0.58) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL1442551 0.76 L3MBTL1 (0.56) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL1443133 0.75 NPC1 (0.65) L3MBTL1NPC1HTTALDH1A1RAB9A
SCHEMBL1443230 0.74 L3MBTL1 (0.76) L3MBTL1NPC1HTTALDH1A1RAB9A

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 L3MBTL1 3829/4885NPC1 2222/4885HTT 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.