SCHEMBL5740246

SCHEMBL5740246

FC(F)(F)c1ccc(Nc2ncnc3ccc(I)cc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.62
EGFR P00533 7/20 0.60
GAK O14976 1/20 0.58
CNR2 P34972 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
CD38 P28907 3/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KDR P35968 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
MAPT P10636 1/20 0.49
GRM1 Q13255 1/20 0.49
ALK Q9UM73 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL28159092 0.86 EGFR (0.76) EGFRABCG2CD38TSHRHTT
SCHEMBL28475211 0.85 CD38 (0.62) EGFRCD38TSHRMAPTGRM1
SCHEMBL15587953 0.84 CD38 (0.64) EGFRABCG2CD38HTTMAPT
SCHEMBL5564605 0.84 MAPK1 (0.68) CNR1EGFRGAKCNR2ABCG2
SCHEMBL28469603 0.82 MAPK1 (0.65) EGFRCD38HTTMAPTGRM1
SCHEMBL28471823 0.82 KDM4E (0.72) CNR1EGFRCD38HTTKDR
SCHEMBL3007586 0.82 ALK (0.72) EGFRGAKABCG2KDRMAPT
SCHEMBL1192879 0.81 EGFR (0.70) EGFRABCG2CD38TSHRHTT
SCHEMBL29971755 0.81 EGFR (0.70) EGFRABCG2CD38TSHRHTT
SCHEMBL18013046 0.81 EGFR (0.66) CNR1EGFRGAKABCG2TSHR

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
CN-1890223-A Capsaicin receptor agonists NEUROGEN CORP (US) 2007-01-03 CN claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 US claimed
EP-1678149-A2 4-AMINO(AZA)QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP claimed
WO-2005042498-A2 4-AMINO (AZA) QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2005-05-12 WO claimed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 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-20060194805-A1 Capsaicin receptor agonists TRPV1, HCAR1, CNR1 CNR1 3/4885EGFR 3398/4885GAK 1749/4885

“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.