SCHEMBL3793199

SCHEMBL3793199

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2cc[nH]n2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 14/20 0.35
LCK P06239 5/20 0.35
AURKB Q96GD4 5/20 0.35
PIK3CA P42336 1/20 0.32
ROCK2 O75116 2/20 0.31
PROKR1 Q8TCW9 1/20 0.31
ROCK1 Q13464 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 0.91 PTK6 (0.37) PTK6LCKAURKBPIK3CAROCK2
SCHEMBL3795930 0.87 PTK6 (0.35) PTK6LCKAURKBPIK3CAROCK2
SCHEMBL3797174 0.86 PTK6 (0.35) PTK6LCKAURKBPIK3CAROCK2
SCHEMBL3704092 0.86 PTK6 (0.35) PTK6LCKAURKBROCK2
SCHEMBL3789942 0.86 PTK6 (0.35) PTK6LCKAURKBPIK3CAROCK2
SCHEMBL3787040 0.86 AURKB (0.35) PTK6LCKAURKBPIK3CAROCK2
SCHEMBL3788870 0.86 PTK6 (0.35) PTK6LCKAURKBPIK3CAROCK2
SCHEMBL3784631 0.86 PTK6 (0.34) PTK6LCKAURKBPIK3CA
SCHEMBL13228896 0.85 PTK6 (0.34) PTK6LCKAURKBPIK3CAROCK2
SCHEMBL3688887 0.85 ALDH1A1 (0.36) PTK6LCKAURKBPIK3CA

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
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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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.