SCHEMBL1442996

SCHEMBL1442996

COc1cnc(Cl)nc1C(N)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PIN1 Q13526 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
GAA P10253 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL1443652 0.93 AAK1 (0.39) ALDH1A1KDM4ESMN1; SMN2PDCD1LG2CD274
SCHEMBL5149760 0.76 ABL1 (0.33)
SCHEMBL31214287 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2PIN1P2RX3
SCHEMBL4071074 0.71 KMT2A (0.37)
SCHEMBL25283172 0.69 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL1442896 0.69 PDGFRB (0.39) ALDH1A1KDM4ESMN1; SMN2PIN1PDGFRB
Hydrazine SCHEMBL27895468 0.68 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2PIN1P2RX3
SCHEMBL30151419 0.68 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2PIN1P2RX3
SCHEMBL840684 0.68 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2PIN1P2RX3
SCHEMBL145005 0.67 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2PIN1GAA

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 ALDH1A1 2446/4885KDM4E 3527/4885SMN1; SMN2 4562/4885

“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.