SCHEMBL5501916

SCHEMBL5501916

CN(C)CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccc3nc(N)ncc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.46
KDR P35968 11/20 0.45
MAPK14 Q16539 9/20 0.45
JAK3 P52333 8/20 0.45
TEK Q02763 4/20 0.45
HDAC2 Q92769 2/20 0.38
MCHR1 Q99705 1/20 0.38
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL5504114 0.88 LCK (0.44) LCKKDRMAPK14JAK3TEK
SCHEMBL5501920 0.87 LCK (0.54) LCKKDRMAPK14JAK3TEK
SCHEMBL5498568 0.86 LCK (0.49) LCKKDRMAPK14JAK3TEK
SCHEMBL5497124 0.86 LCK (0.63) LCKKDRMAPK14JAK3TEK
SCHEMBL5491403 0.85 LCK (0.60) LCKKDRMAPK14JAK3TEK
SCHEMBL5497764 0.84 LCK (0.49) LCKKDRMAPK14JAK3TEK
SCHEMBL5501412 0.84 LCK (0.49) LCKKDRMAPK14JAK3TEK
SCHEMBL5500872 0.83 LCK (0.63) LCKKDRMAPK14JAK3TEK
SCHEMBL5502207 0.82 LCK (0.61) LCKKDRMAPK14JAK3TEK
SCHEMBL5501527 0.81 LCK (0.44) LCKKDRMAPK14JAK3TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885KDR 1044/4885MAPK14 301/4885

“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.