SCHEMBL1030634

SCHEMBL1030634

O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@H](F)C[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.58
KCNH2 Q12809 1/20 0.51
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL1027672 0.96 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL12955997 0.96 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL8262273 0.96 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL1029183 0.87 F10 (0.57) F10
SCHEMBL1029306 0.83 F10 (0.52) F10KCNH2JAK2JAK1TYK2
SCHEMBL8261113 0.83 F10 (0.52) F10KCNH2JAK2JAK1TYK2
SCHEMBL4709195 0.82 F10 (0.56) F10JAK2JAK1TYK2JAK3
SCHEMBL1026247 0.80 F10 (0.81) F10KCNH2
SCHEMBL1029728 0.80 F10 (0.81) F10KCNH2
SCHEMBL8241630 0.80 F10 (0.56) F10KCNH2JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP claimed
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 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-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI F10 8/4885KCNH2 1702/4885JAK2 1596/4885

“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.