SCHEMBL1443652

SCHEMBL1443652

COc1cnc(Cl)nc1C(N)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37
PDGFRB P09619 10/20 0.36
PDGFRA P16234 10/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
AXL P30530 1/20 0.33
BCL6 P41182 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL1442996 0.93 ALDH1A1 (0.41) AAK1SMN1; SMN2KDM4EALDH1A1PDGFRB
SCHEMBL4071074 0.77 KMT2A (0.37) KMT2AAXL
SCHEMBL31214287 0.71 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1KMT2APDGFRB
SCHEMBL5149760 0.70 ABL1 (0.33)
SCHEMBL27196854 0.70 KMT2A (0.60) SMN1; SMN2KDM4EALDH1A1KMT2APDGFRB
SCHEMBL25283172 0.66 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1KMT2APDGFRB
SCHEMBL3145566 0.66 KMT2A (0.51) SMN1; SMN2KDM4EALDH1A1KMT2APDGFRB
SCHEMBL14488164 0.66 EPHX1 (0.36) SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL1443653 0.66 TRPM8 (0.52) SMN1; SMN2KDM4EALDH1A1KMT2APDGFRB
SCHEMBL1442896 0.66 PDGFRB (0.39) SMN1; SMN2KDM4EALDH1A1PDGFRBPDGFRA

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 AAK1 1361/4885SMN1; SMN2 4562/4885KDM4E 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.