SCHEMBL3068769

SCHEMBL3068769

CCCNc1cnccc1N

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.57
▸ KDM6B O15054 2/20 0.57
▸ LATS1 O95835 4/20 0.46
▸ AOC1 P19801 6/20 0.45
▸ AOC3 Q16853 5/20 0.45
▸ LIMK1 P53667 1/20 0.41
▸ ECE1 P42892 1/20 0.40
▸ MUS81 Q96NY9 1/20 0.40
▸ LATS2 Q9NRM7 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ RAD52 P43351 1/20 0.37

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
SCHEMBL8241807 0.85 KDM4C (0.53) KDM4CKDM6BLATS1AOC1AOC3
SCHEMBL2268998 0.85 AOC1 (0.61) KDM4CKDM6BLATS1AOC1AOC3
SCHEMBL14576594 0.81 PTGER4 (0.46) KDM4CKDM6BAOC1AOC3GAA
SCHEMBL9978099 0.81 AOC1 (0.41) KDM4CKDM6BAOC1AOC3GAA
SCHEMBL740267 0.78 PTGER4 (0.44) KDM4CKDM6BAOC1AOC3GAA
SCHEMBL10310091 0.78 KDM4C (0.61) KDM4CKDM6BLATS1AOC1AOC3
Pyridine SCHEMBL7022106 0.77 AOC1 (0.53) KDM4CKDM6BLATS1AOC1AOC3
SCHEMBL9426618 0.76 HTT (0.51) KDM4CKDM6BGAA
SCHEMBL18857746 0.75 KDM4C (0.43) KDM4CKDM6BLATS1ECE1MUS81
Hydrochloric Acid SCHEMBL7652650 0.75 KDM6B (0.61) KDM4CKDM6BAOC3GAAPKM

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-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES MS THERAPEUTICS LIMITED (GB) 2014-01-23 — — US disclosed
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-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-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
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 — — EP disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 — — US disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 — — 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 (5 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 KDM4C 1488/4885KDM6B 2163/4885LATS1 3934/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KDM4C 1488/4885KDM6B 2163/4885LATS1 3934/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 KDM4C 1488/4885KDM6B 2163/4885LATS1 3934/4885
US-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES DNPEP, PEPD, ANPEP KDM4C 678/4885KDM6B 914/4885LATS1 2657/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 KDM4C 1364/4885KDM6B 2153/4885LATS1 4035/4885

“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.

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