SCHEMBL13089683

SCHEMBL13089683

CCCn1c(Cn2ccnc2-c2ncccc2F)nc2cc(C#N)cnc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
TP53 P04637 3/20 0.32
GAA P10253 1/20 0.31
TGFBR1 P36897 1/20 0.30
MET P08581 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
SCHEMBL3063376 0.87 PTGER4 (0.35) PTGER4TP53GAA
SCHEMBL3060632 0.85 TP53 (0.43) TP53GAA
SCHEMBL13089674 0.83 BRD4 (0.33) PTGER4
SCHEMBL3064266 0.81 PTGER4 (0.38) PTGER4GAA
SCHEMBL3061397 0.80 PDE4B (0.38) TP53GAATGFBR1
SCHEMBL3064982 0.77 TP53 (0.40) TP53GAATGFBR1
SCHEMBL3068576 0.77 TP53 (0.38) TP53
SCHEMBL3070806 0.76 ENPP2 (0.36) TP53
SCHEMBL3067971 0.75 GRIN1 (0.32)
SCHEMBL3061821 0.75 TP53 (0.42) TP53GAA

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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PTGER4 1205/4885TP53 4833/4885GAA 1402/4885

“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.