SCHEMBL1027705

SCHEMBL1027705

O=C(CC1CCN(c2ccncc2F)CC1)OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
FFAR4 Q5NUL3 7/20 0.37
ROCK2 O75116 1/20 0.37
PRKG1 Q13976 1/20 0.37
CHRM1 P11229 1/20 0.37
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GPR6 P46095 3/20 0.35
ATR Q13535 1/20 0.35

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 0.83 FFAR4 (0.47) FFAR4GPR6
SCHEMBL1025273 0.82 ITGB3 (0.45)
SCHEMBL13622696 0.81 FFAR4 (0.48) FFAR4CA12CA1CA2CA9
SCHEMBL1023389 0.80 KDM4E (0.50) GPR119
SCHEMBL1025527 0.78 MAPT (0.38) CYP46A1GPR119ROCK2PRKG1CHRM1
SCHEMBL1027946 0.77 ADORA2A (0.41) FFAR4
Acetic Acid SCHEMBL1025524 0.76 CYP46A1 (0.41) CYP46A1ROCK2PRKG1GPR6
SCHEMBL1026507 0.76 KDM4E (0.47) GPR119
SCHEMBL4357935 0.76 CHRM4 (0.40) FFAR4
SCHEMBL1024488 0.75 KDM4E (0.53) FFAR4

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 3 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CYP46A1 3891/4885GPR119 1922/4885FFAR4 2075/4885

“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.