SCHEMBL1945103

SCHEMBL1945103

COC1(CNc2nc(OS(=O)(=O)C(F)(F)F)ccc2F)CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.32
CNR2 P34972 1/20 0.32
AOC2 O75106 1/20 0.31

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
SCHEMBL12542458 0.89 RORC (0.35) RORCAOC2
SCHEMBL1192511 0.88 TTK (0.31)
SCHEMBL1462674 0.86 CYP2C9 (0.33) RORCCNR2
SCHEMBL1191983 0.83 AOC2 (0.35) CNR2AOC2
SCHEMBL1462859 0.79 RORC (0.32) RORC
SCHEMBL1462622 0.78 ALDH1A1 (0.39)
SCHEMBL1462844 0.77 AOC2 (0.31) RORCAOC2
SCHEMBL1192308 0.77 PTGS1 (0.40) CNR2
SCHEMBL12542361 0.75 TTK (0.34) RORC
SCHEMBL1462809 0.73

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
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 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-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 RORC 629/4885CNR2 3280/4885AOC2 4247/4885

“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.