SCHEMBL3929974

SCHEMBL3929974

C=CCc1c(Cl)ncnc1Nc1cc(F)c(C#N)cc1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.33
LRRK2 Q5S007 1/20 0.33
KHK P50053 1/20 0.32
KDR P35968 2/20 0.30
SRC P12931 1/20 0.30
ERBB2 P04626 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL4491507 0.77 EGFR (0.47) EGFRKDR
SCHEMBL4491001 0.73 GPR119 (0.44)
SCHEMBL2059480 0.67 SMN1; SMN2 (0.47)
SCHEMBL3938454 0.66 GPR119 (0.32)
SCHEMBL1350377 0.66 ALDH1A1 (0.36)
SCHEMBL4494330 0.65 MEN1 (0.44) EGFRKDRSRC
SCHEMBL2783647 0.64 EGFR (0.49) EGFRSRCERBB2
SCHEMBL23832185 0.61 TRPV4 (0.34) KHKTRPV4
SCHEMBL21664340 0.61 IRAK4 (0.43) EGFRKHKSRCERBB2TRPV4
SCHEMBL14863560 0.61 AR (0.38) TRPV4

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-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 US disclosed
EP-2043744-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2009-04-08 EP disclosed
WO-2008008895-A1 GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 WO disclosed
WO-2008008887-A2 GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-17 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-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 EGFR 3991/4885LRRK2 3377/4885KHK 1038/4885

“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.