SCHEMBL3789346

SCHEMBL3789346

CCOC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4cn[nH]c4)cn3c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 7/20 0.38
LCK P06239 4/20 0.38
AURKB Q96GD4 3/20 0.37
PROKR1 Q8TCW9 1/20 0.35
RBP4 P02753 2/20 0.35
SPR P35270 1/20 0.35
PIK3CD O00329 2/20 0.35
KHK P50053 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL3792558 0.96 PROKR1 (0.37) PTK6LCKAURKBPROKR1RBP4
SCHEMBL3792576 0.94 PTK6 (0.37) PTK6LCKAURKBPROKR1RBP4
SCHEMBL3786082 0.91 PTK6 (0.36) PTK6LCKAURKBPROKR1RBP4
SCHEMBL3797171 0.90 AKT1 (0.40) PTK6LCKAURKBPROKR1RBP4
SCHEMBL3793467 0.89 LIPG (0.37) PTK6LCKAURKBPROKR1PIK3CD
SCHEMBL3792637 0.85 PROKR1 (0.39) PTK6LCKAURKBPROKR1PIK3CD
SCHEMBL13228542 0.84 PIK3CD (0.38) PROKR1RBP4PIK3CD
SCHEMBL3064044 0.84 PROKR1 (0.34) PTK6LCKAURKBPROKR1RBP4
SCHEMBL3063347 0.83 PROKR1 (0.35) PTK6LCKAURKBPROKR1RBP4
SCHEMBL3696844 0.83 PROKR1 (0.36) PTK6LCKAURKBPROKR1KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 PTK6 4396/4885LCK 2497/4885AURKB 1908/4885

“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.