SCHEMBL3067522

SCHEMBL3067522

FCCn1c(Cn2ccnc2-c2ccc(F)c(F)c2)nc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.37
TOP1 P11387 1/20 0.37
GRIN2B Q13224 4/20 0.37
GRIN1 Q05586 3/20 0.37
TP53 P04637 3/20 0.36
BRD4 O60885 3/20 0.35
MAPT P10636 1/20 0.34
SLC6A9 P48067 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
LMNA P02545 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
SCHEMBL3065938 0.92 BRD4 (0.37) TP53BRD4MAPTSLC6A9
SCHEMBL3050429 0.91 TP53 (0.41) KLK7TOP1GRIN2BGRIN1TP53
SCHEMBL3073292 0.89 TP53 (0.39) KLK7TOP1GRIN2BGRIN1TP53
SCHEMBL3060839 0.88 ENPP2 (0.40) GRIN2BGRIN1TP53BRD4MAPT
SCHEMBL3050452 0.87 TP53 (0.35) TP53BRD4MAPTSLC6A9LMNA
SCHEMBL3057574 0.84 ENPP2 (0.36) TP53BRD4MAPTSLC6A9LMNA
SCHEMBL3070806 0.84 ENPP2 (0.36) TP53BRD4MAPTSLC6A9LMNA
SCHEMBL3070805 0.82 TP53 (0.36) TP53BRD4MAPTSLC6A9LMNA
SCHEMBL3065217 0.81 TP53 (0.37) TP53BRD4MAPTSLC6A9LMNA
SCHEMBL3065056 0.80 TP53 (0.39) TP53BRD4MAPTSLC6A9LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US claimed
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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 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
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 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 (3 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 KLK7 3510/4885TOP1 3802/4885GRIN2B 111/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KLK7 3510/4885TOP1 3802/4885GRIN2B 111/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 KLK7 3510/4885TOP1 3802/4885GRIN2B 111/4885

“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.