SCHEMBL3065428

SCHEMBL3065428

C=CCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 5/20 0.33
ENPP2 Q13822 4/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL3070588 0.86 TP53 (0.38) ALDH1A1HPGDLMNATP53ENPP2
SCHEMBL3069870 0.85 KDM4E (0.35) HTR1AHTR2CALDH1A1HPGDHSD17B10
SCHEMBL3060508 0.85 ENPP2 (0.39) HTR1AHTR2CALDH1A1HPGDHSD17B10
SCHEMBL3069659 0.84 TP53 (0.45) LMNATP53ENPP2MAPTGAA
SCHEMBL3062225 0.84 HDAC1 (0.35) LMNATP53ENPP2MAPT
SCHEMBL3065436 0.83 TP53 (0.40) LMNATP53ENPP2MAPT
SCHEMBL3059564 0.83 MAPT (0.36) ALDH1A1HPGDTP53MAPTKDM4E
SCHEMBL3064428 0.82 CYP3A4 (0.36) LMNATP53ENPP2MAPT
SCHEMBL3059903 0.81 PDE10A (0.35) LMNATP53ENPP2MAPT
SCHEMBL3060364 0.78 TP53 (0.44) LMNATP53MAPTSMN1; SMN2

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 HTR1A 415/4885HTR2C 196/4885ALDH1A1 470/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 HTR1A 415/4885HTR2C 196/4885ALDH1A1 470/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 HTR1A 415/4885HTR2C 196/4885ALDH1A1 470/4885

“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.