SCHEMBL4499595

SCHEMBL4499595

CN1C(=O)OC[C@@H]1Cc1ccc(Oc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.38
BRAF P15056 6/20 0.38
LIPE Q05469 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MET P08581 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
SCHEMBL4508563 0.91 SCN9A (0.36) KDRBRAFLIPEHRH3MET
SCHEMBL4523713 0.90 LIPE (0.44) LIPEHRH3
SCHEMBL4233527 0.89 KDR (0.40) KDRBRAFLIPEHRH3MET
SCHEMBL4510231 0.86 KMT2A (0.43) HRH3
SCHEMBL5339765 0.85 MET (0.39) KDRMET
SCHEMBL4516481 0.85 MET (0.39) KDRMET
SCHEMBL4239558 0.83 KDR (0.38) KDRBRAFLIPEHRH3MET
SCHEMBL4524286 0.82 HTR1D (0.35) LIPE
SCHEMBL5329788 0.82 HTR1D (0.35) LIPE
SCHEMBL4502936 0.80 LIPE (0.41) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US claimed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 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-20090203744-A1 NOVEL PYRIDINE DERIVATIVES CYP3A4, CYP4B1, CYP3A5 KDR 3467/4885BRAF 1702/4885LIPE 4866/4885

“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.