SCHEMBL13089665

SCHEMBL13089665

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2ccc(-c3nnco3)nc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 2/20 0.31
TP53 P04637 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
SCHEMBL13089666 0.87 DYRK1A (0.33) DYRK1ATP53
SCHEMBL3072824 0.87 MEN1 (0.35) NOTUMMEN1GAAMAPTRAB9A
SCHEMBL5625243 0.86 MEN1 (0.33) NOTUMMEN1GAAMAPTRAB9A
SCHEMBL3059668 0.86 MAPT (0.37) NOTUMMEN1GAAMAPTRAB9A
SCHEMBL3069949 0.85 TP53 (0.35) GAAMAPTDYRK1ATP53
SCHEMBL3064978 0.84 MAPT (0.37) NOTUMMEN1GAAMAPTRAB9A
SCHEMBL3064126 0.83 BRD4 (0.35) MAPTDYRK1ATP53
SCHEMBL3060479 0.82 GRM2 (0.34) MAPTDYRK1ATP53
SCHEMBL3069659 0.80 TP53 (0.45) MEN1GAAMAPTKMT2ATP53
SCHEMBL3068033 0.77 MAPT (0.35) NOTUMMEN1GAAMAPTRAB9A

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-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
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 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 NOTUM 3360/4885MEN1 3395/4885GAA 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.