SCHEMBL3793295

SCHEMBL3793295

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2nccs2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 9/20 0.35
LCK P06239 3/20 0.35
AURKB Q96GD4 3/20 0.35
P2RX7 Q99572 2/20 0.33
MARK3 P27448 1/20 0.32
TRPV1 Q8NER1 7/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL3691038 0.92 PTK6 (0.35) PTK6LCKAURKBP2RX7MARK3
SCHEMBL3797185 0.90 PTK6 (0.37) PTK6LCKAURKBTRPV1
SCHEMBL13228712 0.88 P2RX7 (0.36) P2RX7TRPV1
SCHEMBL3791562 0.87 P2RX7 (0.34) P2RX7TRPV1
SCHEMBL3684454 0.85 P2RX7 (0.35) P2RX7TRPV1
SCHEMBL3687819 0.84 AURKB (0.34) PTK6LCKAURKBP2RX7MARK3
SCHEMBL3689868 0.83 MARK3 (0.34) PTK6LCKAURKBP2RX7MARK3
SCHEMBL3784636 0.83 PTK6 (0.37) PTK6LCKAURKB
SCHEMBL3709613 0.82 PTK6 (0.35) PTK6LCKAURKBTRPV1
SCHEMBL13229133 0.82 MARK3 (0.34) PTK6LCKAURKBP2RX7MARK3

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 2 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

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.