SCHEMBL1911217

SCHEMBL1911217

Nc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@@H]1C[C@H](O)[C@]2(O)CCCC[C@@H]2O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
PIM1 P11309 19/20 0.53
PIM3 Q86V86 19/20 0.53
PIM2 Q9P1W9 19/20 0.53
GSK3B P49841 1/20 0.44

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
SCHEMBL14906171 1.00 CYP3A4 (0.61) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14892124 0.98 CYP3A4 (0.62) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14891477 0.98 CYP3A4 (0.62) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL1911278 0.98 CYP3A4 (0.62) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14892772 0.91 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14892318 0.91 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14892231 0.84 CYP3A4 (0.76) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14891657 0.83 CYP3A4 (0.70) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14892750 0.83 CYP3A4 (0.70) CYP3A4CYP2D6CYP2C9PIM1PIM3
SCHEMBL14906131 0.83 PIM3 (0.63) PIM1PIM3PIM2

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 2 patents. 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
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 CYP3A4 1642/4885CYP2D6 2526/4885CYP2C9 1937/4885

“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.