SCHEMBL1024883

SCHEMBL1024883

O=C(CC1CCN(c2cccc(Cl)n2)CC1)OC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.41
TTR P02766 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL1025550 0.88 FFAR1 (0.44) TTRCKS1BSKP1SKP2FFAR1
Trifluoroacetic Acid SCHEMBL1024882 0.83 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1024330 0.82 ALDH1A1 (0.52) CYP2D6TSHRALDH1A1GAAFFAR1
SCHEMBL23582347 0.81 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13622625 0.80 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4364569 0.79 LSS (0.43) CKS1BSKP1SKP2HRH3FFAR4
SCHEMBL1025111 0.78 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1024922 0.77 CHRM2 (0.46) FFAR1FFAR4
SCHEMBL4354310 0.77 MEN1 (0.40) MEN1TSHRKMT2AALDH1A1GAA
Acetic Acid SCHEMBL1025109 0.76 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C

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
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
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 HTR3E 4745/4885HTR3B 4275/4885HTR3A 4542/4885

“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.