SCHEMBL13089697

SCHEMBL13089697

CCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2cc(C(C)=O)cnc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.39
GRIN1 Q05586 1/20 0.39
TGFBR1 P36897 8/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SYK P43405 3/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL3059995 0.87 KMT2A (0.42) GRIN2BGRIN1TGFBR1MEN1NPC1
SCHEMBL3064745 0.83 TGFBR1 (0.38) GRIN2BGRIN1TGFBR1
SCHEMBL3070976 0.82 TP53 (0.37) GRIN2BGRIN1TGFBR1MEN1NPC1
SCHEMBL13548147 0.78 GRM2 (0.48) MEN1NPC1RAB9AKMT2A
SCHEMBL13089471 0.76 GRM2 (0.35) TGFBR1
SCHEMBL3065381 0.76 TP53 (0.43) TGFBR1
SCHEMBL3060368 0.75 KMT2A (0.44) MEN1NPC1RAB9AKMT2A
SCHEMBL3060665 0.73 KMT2A (0.44) MEN1NPC1RAB9AKMT2A
SCHEMBL3055145 0.73 TGFBR1 (0.36) TGFBR1
SCHEMBL3065201 0.73 TP53 (0.45) GRIN2BGRIN1MEN1NPC1RAB9A

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 GRIN2B 111/4885GRIN1 231/4885TGFBR1 1411/4885

“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.