SCHEMBL3054940

SCHEMBL3054940

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)N3CCC[C@H]3CO)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
SPHK2 Q9NRA0 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
NAMPT P43490 1/20 0.35
ROCK2 O75116 1/20 0.35
CNR2 P34972 3/20 0.35
PADI4 Q9UM07 2/20 0.35
POLB P06746 1/20 0.34
GLP1R P43220 1/20 0.34
HSD11B1 P28845 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3055987 0.93 RAB9A (0.40) RAB9ANPC1CNR2GLP1RKMT2A
SCHEMBL3067783 0.85 KDM4E (0.49) RAB9ANPC1POLBKMT2A
SCHEMBL3065708 0.83 CNR2 (0.40) RAB9ANPC1CNR2THRBKMT2A
SCHEMBL3055231 0.82 JAK2 (0.36) RAB9ANPC1CNR2GLP1RTHRB
SCHEMBL13089648 0.81 MAPK10 (0.40) RAB9ANPC1CNR2THRBKMT2A
SCHEMBL3054960 0.81 PTGER4 (0.39) RAB9ANPC1CNR2THRBKMT2A
SCHEMBL3067526 0.81 MEN1 (0.38) RAB9ANPC1NAMPTCNR2THRB
SCHEMBL13548030 0.81 CNR2 (0.31) RAB9ANPC1CNR2PADI4GLP1R
SCHEMBL3070457 0.80 MEN1 (0.49) POLBKMT2A
SCHEMBL13010691 0.80 MEN1 (0.40) RAB9ANPC1NAMPTCNR2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP 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-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

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 PDK2 724/4885SPHK2 1477/4885RAB9A 4000/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 PDK2 724/4885SPHK2 1477/4885RAB9A 4000/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 PDK2 724/4885SPHK2 1477/4885RAB9A 4000/4885

“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.