SCHEMBL13622696

SCHEMBL13622696

O=C(O)CC1CCN(c2ccncc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 18/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
Trifluoroacetic Acid SCHEMBL1025526 0.94 FFAR4 (0.47) FFAR4ITGB3ITGA2B
SCHEMBL3299028 0.83 PDE10A (0.44) CA12CA1CA2CA9
SCHEMBL1027705 0.81 CYP46A1 (0.39) FFAR4CA12CA1CA2CA9
SCHEMBL2942824 0.77 ITGB3 (0.63) FFAR4ITGB3ITGA2B
SCHEMBL16612449 0.76 CYP46A1 (0.45) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL2948256 0.76 ITGB3 (0.62) FFAR4ITGB3ITGA2B
SCHEMBL20755270 0.75 GAA (0.46) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL7327151 0.74 ITGB3 (0.60) FFAR4ITGB3ITGA2B
SCHEMBL13622622 0.73 KDM4E (0.57) FFAR4
Lithium Ion SCHEMBL31016561 0.73 PIM1 (0.38) CA12CA1CA2CA9

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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK FFAR4 2075/4885ITGB3 2933/4885ITGA2B 3222/4885

“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.