SCHEMBL4494380

SCHEMBL4494380

N#Cc1cc(F)c(N2CCc3c(Cl)ncnc32)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KHK P50053 1/20 0.39
GPR119 Q8TDV5 7/20 0.39
CRHR1 P34998 3/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
HTT P42858 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
EIF4E P06730 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
LRRK2 Q5S007 1/20 0.34
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL4503148 0.83 HTT (0.36) GPR119HTTEIF4EMKNK1MKNK2
SCHEMBL12170572 0.80 EIF4E (0.46) GPR119CRHR1HTTEIF4EMKNK1
SCHEMBL375962 0.73 GPR119 (0.61) GPR119
SCHEMBL4488064 0.69 GPR119 (0.50) ALDH1A1GPR119CRHR1JAK2JAK3
SCHEMBL4491806 0.68 GPR119 (0.37) ALDH1A1GPR119HTTLRRK2
SCHEMBL12188759 0.66 GPR119 (0.40) ALDH1A1GPR119CRHR1JAK2JAK3
SCHEMBL4497686 0.66 HTT (0.37) GPR119HTTEIF4EMKNK1MKNK2
SCHEMBL21664340 0.65 IRAK4 (0.43) ALDH1A1KHKTRPV4EGLN2
SCHEMBL16858600 0.65 KHK (0.40) ALDH1A1KHKTRPV4EGLN2
SCHEMBL4502152 0.65 P2RX7 (0.38) ALDH1A1HTT

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 ALDH1A1 350/4885KHK 1038/4885GPR119 1/4885

“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.