SCHEMBL1442997

SCHEMBL1442997

COc1cnc(Cl)nc1NCC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.58
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKCQ Q04759 3/20 0.39
STK17A Q9UEE5 1/20 0.38
CDK2 P24941 3/20 0.37
TTK P33981 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CCNA2 P20248 1/20 0.37
PDE10A Q9Y233 1/20 0.37
GAK O14976 1/20 0.37
NSD2 O96028 1/20 0.37
JAK1 P23458 5/20 0.37
JAK3 P52333 3/20 0.37
CCNE1 P24864 2/20 0.37
TYK2 P29597 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
SCHEMBL1443653 0.93 TRPM8 (0.52) TRPM8LRRK2KDM4EALDH1A1SMN1; SMN2
SCHEMBL30462040 0.85 TRPM8 (0.65) TRPM8LRRK2SMN1; SMN2PRKCQ
SCHEMBL29043921 0.85 TRPM8 (0.65) TRPM8LRRK2SMN1; SMN2PRKCQ
SCHEMBL30462019 0.81 TRPM8 (0.57) TRPM8KDM4EALDH1A1SMN1; SMN2JAK1
SCHEMBL26627858 0.81 TRPM8 (0.57) TRPM8KDM4EALDH1A1SMN1; SMN2JAK1
SCHEMBL30461978 0.80 TRPM8 (0.42) TRPM8LRRK2PRKCQCDK2TTK
SCHEMBL19675913 0.80 USP1 (0.44) TRPM8LRRK2KDM4EPRKCQADORA3
SCHEMBL1936606 0.80 ADORA3 (0.43) TRPM8LRRK2ALDH1A1PRKCQSTK17A
SCHEMBL1442559 0.80 PGK1 (0.51) KDM4EALDH1A1SMN1; SMN2STK17A
SCHEMBL31368677 0.79 TRPM8 (0.41) TRPM8LRRK2PRKCQCDK2TTK

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 TRPM8 2345/4885LRRK2 1973/4885KDM4E 3527/4885

“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.