SCHEMBL319404

SCHEMBL319404

CC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3ccnnc3)ccc2N)O[C@@H]1C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 19/20 0.55
PIM2 Q9P1W9 19/20 0.55
PIM1 P11309 18/20 0.55
GSK3B P49841 1/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL319243 0.87 PIM2 (0.60) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL14891536 0.87 PIM1 (0.56) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL326076 0.85 PIM1 (0.52) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL14892314 0.85 PIM1 (0.77) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL319247 0.83 PIM2 (0.56) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL1911288 0.83 PIM3 (0.45) PIM3PIM2PIM1GSK3B
SCHEMBL325021 0.83 PIM3 (0.53) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL14906142 0.82 PIM2 (0.52) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL14906141 0.82 CYP3A4 (0.51) PIM3PIM2PIM1GSK3BCYP3A4
SCHEMBL12079791 0.80 PIM2 (0.71) PIM3PIM2PIM1GSK3BCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B PIM3 5/4885PIM2 4/4885PIM1 1/4885

“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.