SCHEMBL1442835

SCHEMBL1442835

Cc1ccccc1CC(C#N)C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DPP4 P27487 2/20 0.39
FAP Q12884 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
LMNA P02545 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 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
SCHEMBL198401 0.80 DPP4 (0.40) TAAR1TSHRMEN1KMT2ADPP4
SCHEMBL7799765 0.77 ESR2 (0.54) TAAR1TSHRMEN1KMT2ADPP4
SCHEMBL1443585 0.75 TAAR1 (0.43) TAAR1DPP4FAPDPP8DPP9
SCHEMBL28179965 0.75 FDPS (0.38) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL4656004 0.75 CYP1A1 (0.43) TAAR1TSHRSLC6A2SLC6A4L3MBTL1
SCHEMBL14135697 0.75 TRPA1 (0.34) TSHR
SCHEMBL1797853 0.75 IDO1 (0.45) TAAR1LMNASLC6A2SLC6A4ALDH1A1
SCHEMBL28647388 0.75 SLC6A2 (0.45) TSHRMEN1KMT2ADPP4FAP
SCHEMBL6825205 0.75 IDO1 (0.47) TAAR1TSHRMEN1KMT2ASLC6A2
SCHEMBL12173472 0.74 PPARG (0.47) MEN1KMT2ADPP4FAPDPP8

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 TAAR1 583/4885TSHR 851/4885MEN1 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.