SCHEMBL1442022

SCHEMBL1442022

COc1cnc(-c2ccccn2)nc1N(C)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 10/20 0.67
SMN1; SMN2 Q16637 9/20 0.67
MAPT P10636 5/20 0.67
HTT P42858 3/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TRPM8 Q7Z2W7 8/20 0.58
LMNA P02545 5/20 0.51
MITF O75030 1/20 0.51
PPP1CA P62136 5/20 0.50
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1442188 0.94 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443569 0.81 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1442979 0.77 MEN1 (1.00) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443058 0.77 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443372 0.77 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443138 0.76 NPC1 (0.45) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL11901216 0.75 L3MBTL1 (0.73) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL10270343 0.74 TRPM8 (1.00) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1443081 0.74 L3MBTL1 (0.70) L3MBTL1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL1699218 0.74 TRPM8 (1.00) L3MBTL1SMN1; SMN2MAPTHTTKDM4E

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 L3MBTL1 3829/4885SMN1; SMN2 4562/4885MAPT 4432/4885

“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.