SCHEMBL14906087

SCHEMBL14906087

CC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)O[C@@H]1C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 19/20 0.63
▸ PIM1 P11309 18/20 0.63
▸ PIM2 Q9P1W9 18/20 0.63
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
SCHEMBL325021 0.91 PIM3 (0.53) PIM3PIM1PIM2CYP3A4CYP2D6
SCHEMBL14892623 0.90 PIM3 (0.65) PIM3PIM1PIM2CYP3A4CYP2D6
SCHEMBL14906095 0.88 CYP3A4 (0.66) PIM3PIM1PIM2CYP3A4CYP2D6
SCHEMBL14892170 0.87 PIM3 (0.60) PIM3PIM1PIM2CYP3A4CYP2D6
SCHEMBL14892546 0.87 PIM3 (0.60) PIM3PIM1PIM2CYP3A4CYP2D6
SCHEMBL12080182 0.87 PIM3 (0.72) PIM3PIM1PIM2CYP3A4CYP2D6
SCHEMBL14892459 0.87 PIM1 (0.64) PIM3PIM1PIM2
SCHEMBL14891020 0.87 PIM1 (0.64) PIM3PIM1PIM2
SCHEMBL14892813 0.87 PIM1 (0.64) PIM3PIM1PIM2
SCHEMBL14890869 0.87 PIM1 (0.64) PIM3PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 — — US 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 5/4885PIM1 1/4885PIM2 4/4885

“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.

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