SCHEMBL3055231

SCHEMBL3055231

CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)N3CC4CC3CO4)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
HTR2C P28335 1/20 0.35
LRRK2 Q5S007 2/20 0.35
PRMT5 O14744 1/20 0.34
KMT2A Q03164 3/20 0.33
DGAT2 Q96PD7 1/20 0.33
GLP1R P43220 2/20 0.33
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
PABPC1 P11940 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL3066020 0.94 GLP1R (0.38) JAK2JAK1LRRK2PRMT5GLP1R
SCHEMBL13548030 0.83 CNR2 (0.31) JAK2JAK1KMT2AGLP1RMEN1
SCHEMBL3065708 0.82 CNR2 (0.40) JAK2JAK1KMT2AMEN1KDM4E
SCHEMBL3054940 0.82 PDK2 (0.37) KMT2AGLP1RTHRBNPC1RAB9A
SCHEMBL3055987 0.81 RAB9A (0.40) KMT2AGLP1RMEN1NPC1RAB9A
SCHEMBL13089648 0.80 MAPK10 (0.40) KMT2AMEN1KDM4EALDH1A1HSP90AA1
SCHEMBL3067526 0.80 MEN1 (0.38) KMT2AMEN1KDM4EALDH1A1HSP90AA1
SCHEMBL3054960 0.80 PTGER4 (0.39) KMT2AMEN1KDM4EALDH1A1HSP90AA1
SCHEMBL13010691 0.79 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1HSP90AA1
SCHEMBL3067783 0.79 KDM4E (0.49) KMT2AMEN1KDM4EALDH1A1GAA

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 10 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-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-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 JAK2 981/4885JAK1 1466/4885HTR2C 196/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 JAK2 981/4885JAK1 1466/4885HTR2C 196/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 JAK2 981/4885JAK1 1466/4885HTR2C 196/4885

“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.