SCHEMBL3564377

SCHEMBL3564377

NC(=O)c1ccc(N2CCOCC2=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
TYK2 P29597 1/20 0.46
F10 P00742 12/20 0.45
DGAT1 O75907 1/20 0.41
PTGS2 P35354 2/20 0.40
MAPK1 P28482 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL31347248 0.82 F10 (0.48) JAK2JAK1JAK3TYK2F10
SCHEMBL1028503 0.82 F10 (0.48) JAK2JAK1JAK3TYK2F10
SCHEMBL5830580 0.82 DGAT1 (0.46) F10DGAT1LRRK2
SCHEMBL4639953 0.81 PIK3CD (0.46) JAK2JAK1JAK3TYK2F10
SCHEMBL24195918 0.79 F10 (0.48) JAK2JAK1JAK3TYK2F10
SCHEMBL28190265 0.79 PRKDC (0.55) JAK2JAK1JAK3TYK2DGAT1
SCHEMBL4101204 0.78 ALDH1A1 (0.47) F10DGAT1LRRK2
SCHEMBL5442375 0.78 F10 (0.47) JAK2JAK1JAK3TYK2F10
SCHEMBL8262171 0.78 F10 (0.45) JAK2JAK1JAK3TYK2F10
SCHEMBL8305482 0.78 F10 (0.47) F10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US claimed
EP-2076511-A1 NOVEL HETEROARYL CARBOXAMIDES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO claimed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US disclosed
EP-2076511-A1 NOVEL HETEROARYL CARBOXAMIDES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO disclosed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 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-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES F12, F11, F2 JAK2 123/4885JAK1 589/4885JAK3 798/4885

“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.