SCHEMBL3784079

SCHEMBL3784079

COc1ccc(NC2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.41
ABCB1 P08183 1/20 0.40
TYRO3 Q06418 2/20 0.38
MERTK Q12866 2/20 0.38
KMT2A Q03164 1/20 0.38
MLNR O43193 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL3792098 0.92 TYRO3 (0.41) GFERABCB1TYRO3MERTKKMT2A
SCHEMBL3683978 0.90 TYRO3 (0.42) GFERTYRO3MERTKEPHX2
SCHEMBL3643133 0.88 RBP4 (0.40) ABCB1ALDH1A1GAA
SCHEMBL7500241 0.86 TYRO3 (0.38) TYRO3MERTKEPHX2
SCHEMBL3683862 0.86 TYRO3 (0.38) TYRO3MERTKEPHX2
SCHEMBL3789505 0.85 TYRO3 (0.41) TYRO3MERTK
SCHEMBL3790727 0.85 EPHX2 (0.38) TYRO3MERTKEPHX2
SCHEMBL3790725 0.85 EPHX2 (0.38) TYRO3MERTKEPHX2
SCHEMBL3689038 0.84 DPP4 (0.38) TYRO3MERTKEPHX2
SCHEMBL7495678 0.84 DPP4 (0.38) TYRO3MERTKEPHX2

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 4 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
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 GFER 1240/4885ABCB1 721/4885TYRO3 4163/4885

“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.