SCHEMBL3704092

SCHEMBL3704092

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2cscn2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 9/20 0.35
AURKB Q96GD4 4/20 0.35
LCK P06239 3/20 0.35
P2RX7 Q99572 4/20 0.34
MARK3 P27448 1/20 0.32
ROCK2 O75116 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL3784636 0.90 PTK6 (0.37) PTK6AURKBLCKROCK2
SCHEMBL3797174 0.88 PTK6 (0.35) PTK6AURKBLCKMARK3ROCK2
SCHEMBL3795930 0.88 PTK6 (0.35) PTK6AURKBLCKROCK2
SCHEMBL3784631 0.88 PTK6 (0.34) PTK6AURKBLCKMARK3
SCHEMBL3691038 0.86 PTK6 (0.35) PTK6AURKBLCKP2RX7MARK3
SCHEMBL3789683 0.86 PTK6 (0.33) PTK6AURKBLCKMARK3ROCK2
SCHEMBL3793199 0.86 PTK6 (0.35) PTK6AURKBLCKROCK2
SCHEMBL3709902 0.84 KDM4E (0.35) PTK6AURKBLCKROCK2
SCHEMBL3686801 0.84 LCK (0.34) PTK6AURKBLCKP2RX7MARK3
SCHEMBL13228896 0.84 PTK6 (0.34) PTK6AURKBLCKROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
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
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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 (3 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 PTK6 4396/4885AURKB 1908/4885LCK 2497/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 PTK6 4396/4885AURKB 1908/4885LCK 2497/4885
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 PTK6 4396/4885AURKB 1908/4885LCK 2497/4885

“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.