SCHEMBL4491507

SCHEMBL4491507

C=CCc1c(Cl)ncnc1Nc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.47
KDR P35968 11/20 0.46
RET P07949 1/20 0.46
KIF5B P33176 1/20 0.46
CLK1 P49759 2/20 0.45
DYRK1A Q13627 4/20 0.42
DYRK1B Q9Y463 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4491001 0.81 GPR119 (0.44)
SCHEMBL4494330 0.80 MEN1 (0.44) EGFRKDR
SCHEMBL3055764 0.77 KDR (0.52) EGFRKDRRETKIF5BCLK1
SCHEMBL3929974 0.77 EGFR (0.33) EGFRKDR
SCHEMBL5239750 0.74 KDR (0.60) EGFRKDRRETKIF5BDYRK1A
SCHEMBL4275254 0.74 KDR (0.49) EGFRKDRRETKIF5BCLK1
SCHEMBL5235212 0.73 KDR (0.59) EGFRKDRRETKIF5BDYRK1A
SCHEMBL689999 0.70 EGFR (0.46) EGFRKDRRETKIF5BCLK1
SCHEMBL4491809 0.69 EGFR (0.32) EGFRKDR
SCHEMBL2059480 0.69 SMN1; SMN2 (0.47)

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 2 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

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 3991/4885KDR 3055/4885RET 1487/4885

“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.