SCHEMBL1442837

SCHEMBL1442837

N#CC(C#N)Cc1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.46
DPP8 Q6V1X1 9/20 0.42
DPP7 Q9UHL4 13/20 0.39
DPP9 Q86TI2 12/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 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
SCHEMBL4656231 0.78 MAPT (0.36)
SCHEMBL1443585 0.76 TAAR1 (0.43) DPP4DPP8DPP9
SCHEMBL11047241 0.74 DPP4 (0.39) DPP4DPP8DPP7DPP9
SCHEMBL29618975 0.74 PSEN1 (0.40) DPP4DPP8DPP7DPP9PSEN1
SCHEMBL1020440 0.74 PSEN1 (0.40) DPP4DPP8DPP7DPP9PSEN1
SCHEMBL8250509 0.74 DPP4 (0.50) DPP4DPP8DPP7DPP9PSEN1
SCHEMBL1443060 0.71 TRPA1 (0.44) DPP4DPP8DPP7DPP9
SCHEMBL4718190 0.71 MPO (0.44) DPP4DPP8DPP7DPP9PSEN1
SCHEMBL439656 0.71 DPP4 (0.56) DPP4DPP8DPP7DPP9
SCHEMBL441142 0.71 DPP4 (0.56) DPP4DPP8DPP7DPP9

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 DPP4 2013/4885DPP8 2137/4885DPP7 1861/4885

“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.